(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane

C13H21NO — CID 167479014

IUPAC(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
SMILESC=C/C=C1/CCNC(=O)/C1=C/C.CCC
InChIInChI=1S/C10H13NO.C3H8/c1-3-5-8-6-7-11-10(12)9(8)4-2;1-3-2/h3-5H,1,6-7H2,2H3,(H,11,12);3H2,1-2H3/b8-5-,9-4+;
InChIKeyFYMBAQUSQUJBPZ-HHHUAFAMSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds1

About (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane

(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane (PubChem CID 167479014) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
PubChem CID167479014
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
SMILESC=C/C=C1/CCNC(=O)/C1=C/C.CCC
InChIInChI=1S/C10H13NO.C3H8/c1-3-5-8-6-7-11-10(12)9(8)4-2;1-3-2/h3-5H,1,6-7H2,2H3,(H,11,12);3H2,1-2H3/b8-5-,9-4+;
InChIKeyFYMBAQUSQUJBPZ-HHHUAFAMSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
CID 170059513
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
(3E)-3-(methoxymethylidene)pyrrolidin-2-one
CID 55299377
(3E,4E)-4-[1-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]prop-2-enylidene]-3-propylidenepiperidin-2-one
CID 170175224
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
(5Z,6E)-5-ethylidene-3,3-dimethyl-6-prop-2-enylideneazepane-2,7-dione
CID 146429611
(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane
CID 164561643

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane?
The IUPAC name of (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane (CID 167479014) is (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane is C=C/C=C1/CCNC(=O)/C1=C/C.CCC.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane?
The InChIKey is FYMBAQUSQUJBPZ-HHHUAFAMSA-N. The full InChI is InChI=1S/C10H13NO.C3H8/c1-3-5-8-6-7-11-10(12)9(8)4-2;1-3-2/h3-5H,1,6-7H2,2H3,(H,11,12);3H2,1-2H3/b8-5-,9-4+;.
What are the key properties of (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane?
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane has a molecular weight of 207.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane is sourced from PubChem (CID 167479014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).