(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide

C88H156N12O10 — CID 163845991

IUPAC(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
SMILESCC(C)C(=O)/C=C/CN1CCC1.CC(C)C(=O)/C=C/CN1CCCC1.CC(C)C(=O)/C=C/CN1CCCCC1.CC(C)C(=O)/C=C/CN1CCOCC1.CC(C)NC(=O)/C=C/CN1CCC1.CC(C)NC(=O)/C=C/CN1CCCC1.CC(C)NC(=O)/C=C/CN1CCCCC1.CC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C12H22N2O.C12H21NO.C11H20N2O2.C11H20N2O.C11H19NO2.C11H19NO.C10H18N2O.C10H17NO/c1-11(2)13-12(15)7-6-10-14-8-4-3-5-9-14;1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13;1-10(2)12-11(14)6-5-9-13-7-3-4-8-13;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12;1-10(2)11(13)6-5-9-12-7-3-4-8-12;1-9(2)11-10(13)5-3-6-12-7-4-8-12;1-9(2)10(12)5-3-6-11-7-4-8-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,13,15);6-7,11H,3-5,8-10H2,1-2H3;3-4,10H,5-9H2,1-2H3,(H,12,14);5-6,10H,3-4,7-9H2,1-2H3,(H,12,14);3-4,10H,5-9H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;3,5,9H,4,6-8H2,1-2H3,(H,11,13);3,5,9H,4,6-8H2,1-2H3/b2*7-6+;4-3+;6-5+;4-3+;6-5+;2*5-3+
InChIKeyOQEZPWFUDYNXMI-GUWNGDBESA-N
MW1542.29 g/mol
LogP10.58
Rot. Bonds32

About (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide

(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide (PubChem CID 163845991) has the molecular formula C88H156N12O10 and a molecular weight of 1542.29 g/mol. Its IUPAC name is (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
PubChem CID163845991
Molecular FormulaC88H156N12O10
Molecular Weight1542.29 g/mol
Exact Mass1541.21
IUPAC Name(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
SMILESCC(C)C(=O)/C=C/CN1CCC1.CC(C)C(=O)/C=C/CN1CCCC1.CC(C)C(=O)/C=C/CN1CCCCC1.CC(C)C(=O)/C=C/CN1CCOCC1.CC(C)NC(=O)/C=C/CN1CCC1.CC(C)NC(=O)/C=C/CN1CCCC1.CC(C)NC(=O)/C=C/CN1CCCCC1.CC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C12H22N2O.C12H21NO.C11H20N2O2.C11H20N2O.C11H19NO2.C11H19NO.C10H18N2O.C10H17NO/c1-11(2)13-12(15)7-6-10-14-8-4-3-5-9-14;1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13;1-10(2)12-11(14)6-5-9-13-7-3-4-8-13;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12;1-10(2)11(13)6-5-9-12-7-3-4-8-12;1-9(2)11-10(13)5-3-6-12-7-4-8-12;1-9(2)10(12)5-3-6-11-7-4-8-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,13,15);6-7,11H,3-5,8-10H2,1-2H3;3-4,10H,5-9H2,1-2H3,(H,12,14);5-6,10H,3-4,7-9H2,1-2H3,(H,12,14);3-4,10H,5-9H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;3,5,9H,4,6-8H2,1-2H3,(H,11,13);3,5,9H,4,6-8H2,1-2H3/b2*7-6+;4-3+;6-5+;4-3+;6-5+;2*5-3+
InChIKeyOQEZPWFUDYNXMI-GUWNGDBESA-N
XLogP10.58
TPSA229.06 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.29
LogP ≤ 510.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069
(E)-6-(4-cyclopropylpiperazin-1-yl)-2-methylhex-4-en-3-one;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 159904343
(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
(E)-5-methyl-1-pyrrolidin-1-ylhept-2-en-4-one
CID 146188205
(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
CID 166318346
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
(E)-4-(3,5-dioxopiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 129276169
(E)-6-(3-fluoro-3-methylazetidin-1-yl)-2-methylhex-4-en-3-one
CID 126624316
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 123993232

Frequently Asked Questions

What is the IUPAC name of (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide?
The IUPAC name of (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide (CID 163845991) is (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide is CC(C)C(=O)/C=C/CN1CCC1.CC(C)C(=O)/C=C/CN1CCCC1.CC(C)C(=O)/C=C/CN1CCCCC1.CC(C)C(=O)/C=C/CN1CCOCC1.CC(C)NC(=O)/C=C/CN1CCC1.CC(C)NC(=O)/C=C/CN1CCCC1.CC(C)NC(=O)/C=C/CN1CCCCC1.CC(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide?
The InChIKey is OQEZPWFUDYNXMI-GUWNGDBESA-N. The full InChI is InChI=1S/C12H22N2O.C12H21NO.C11H20N2O2.C11H20N2O.C11H19NO2.C11H19NO.C10H18N2O.C10H17NO/c1-11(2)13-12(15)7-6-10-14-8-4-3-5-9-14;1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13;1-10(2)12-11(14)6-5-9-13-7-3-4-8-13;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12;1-10(2)11(13)6-5-9-12-7-3-4-8-12;1-9(2)11-10(13)5-3-6-12-7-4-8-12;1-9(2)10(12)5-3-6-11-7-4-8-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,13,15);6-7,11H,3-5,8-10H2,1-2H3;3-4,10H,5-9H2,1-2H3,(H,12,14);5-6,10H,3-4,7-9H2,1-2H3,(H,12,14);3-4,10H,5-9H2,1-2H3;5-6,10H,3-4,7-9H2,1-2H3;3,5,9H,4,6-8H2,1-2H3,(H,11,13);3,5,9H,4,6-8H2,1-2H3/b2*7-6+;4-3+;6-5+;4-3+;6-5+;2*5-3+.
What are the key properties of (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide?
(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide has a molecular weight of 1542.29 g/mol, XLogP of 10.58, 32 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide is sourced from PubChem (CID 163845991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).