ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one

C18H30N2O — CID 143778310

IUPACethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESC=C/C=C1/C(=O)N(CCN2CCCC2)CC/C1=C/C.CC
InChIInChI=1S/C16H24N2O.C2H6/c1-3-7-15-14(4-2)8-11-18(16(15)19)13-12-17-9-5-6-10-17;1-2/h3-4,7H,1,5-6,8-13H2,2H3;1-2H3/b14-4-,15-7+;
InChIKeyLGOWBXXFVSCCTJ-JSBJBEMDSA-N
MW290.45 g/mol
LogP3.40
Rot. Bonds4

About ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one

ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one (PubChem CID 143778310) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one.

Molecular Properties

Compound Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
PubChem CID143778310
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESC=C/C=C1/C(=O)N(CCN2CCCC2)CC/C1=C/C.CC
InChIInChI=1S/C16H24N2O.C2H6/c1-3-7-15-14(4-2)8-11-18(16(15)19)13-12-17-9-5-6-10-17;1-2/h3-4,7H,1,5-6,8-13H2,2H3;1-2H3/b14-4-,15-7+;
InChIKeyLGOWBXXFVSCCTJ-JSBJBEMDSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
6-bromo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one;ethane
CID 143778307
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
CID 144973587
2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 170049159
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one?
The IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one (CID 143778310) is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one.
What is the SMILES notation for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one?
The canonical SMILES for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one is C=C/C=C1/C(=O)N(CCN2CCCC2)CC/C1=C/C.CC.
What is the InChIKey of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one?
The InChIKey is LGOWBXXFVSCCTJ-JSBJBEMDSA-N. The full InChI is InChI=1S/C16H24N2O.C2H6/c1-3-7-15-14(4-2)8-11-18(16(15)19)13-12-17-9-5-6-10-17;1-2/h3-4,7H,1,5-6,8-13H2,2H3;1-2H3/b14-4-,15-7+;.
What are the key properties of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one?
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one is sourced from PubChem (CID 143778310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).