(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

C18H23NO2 — CID 101015741

IUPAC(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C=C\C=C\C)C1=O
InChIInChI=1S/C18H23NO2/c1-4-7-8-9-10-15-11-12-16(17(15)20)18(21)19(13-5-2)14-6-3/h4-10,16H,2-3,11-14H2,1H3/b7-4+,9-8+,15-10+
InChIKeyKMSXIUQEQTUCFJ-GQBKHQTNSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds7

About (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (PubChem CID 101015741) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
PubChem CID101015741
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C=C\C=C\C)C1=O
InChIInChI=1S/C18H23NO2/c1-4-7-8-9-10-15-11-12-16(17(15)20)18(21)19(13-5-2)14-6-3/h4-10,16H,2-3,11-14H2,1H3/b7-4+,9-8+,15-10+
InChIKeyKMSXIUQEQTUCFJ-GQBKHQTNSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethylidene-N-methyl-2-oxo-1-pent-2-ynyl-N-prop-2-enylcyclopentane-1-carboxamide
CID 135037624
N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548462
N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548463
N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
CID 101055440
3,3-dimethyl-5-oxo-N,N-bis(prop-2-enyl)cyclopentene-1-carboxamide
CID 101994280
1-Methyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170127
1-Cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170164
[3-(2-Cyclopenta-1,3-dien-1-ylethenyl)-2,3-dihydropyrrol-1-yl]-[6-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methanone
CID 90720278
(E)-4-buta-1,3-dien-2-yl-N,N-diethyl-3-oxohept-4-enamide
CID 123442803
(1E,4S,10Z,13S)-5-methyl-4-[(Z)-pent-2-enyl]-5-azabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467672
(1E,4S,10Z,13S)-5-methyl-4-pentyl-5-azabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467678
N-[[4-(4,6-dimethyl-5-oxohept-6-enyl)cyclohexa-1,3-dien-1-yl]methyl]-N,2-dimethylprop-2-enamide
CID 139469922

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The IUPAC name of (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (CID 101015741) is (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The canonical SMILES for (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is C=CCN(CC=C)C(=O)C1CC/C(=C\C=C\C=C\C)C1=O.
What is the InChIKey of (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The InChIKey is KMSXIUQEQTUCFJ-GQBKHQTNSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-7-8-9-10-15-11-12-16(17(15)20)18(21)19(13-5-2)14-6-3/h4-10,16H,2-3,11-14H2,1H3/b7-4+,9-8+,15-10+.
What are the key properties of (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 101015741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).