(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

C14H19NO2 — CID 101108150

IUPAC(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C)C1=O
InChIInChI=1S/C14H19NO2/c1-4-9-15(10-5-2)14(17)12-8-7-11(6-3)13(12)16/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyVXTFGUXCZWQONZ-IZZDOVSWSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds5

About (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (PubChem CID 101108150) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
PubChem CID101108150
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C)C1=O
InChIInChI=1S/C14H19NO2/c1-4-9-15(10-5-2)14(17)12-8-7-11(6-3)13(12)16/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyVXTFGUXCZWQONZ-IZZDOVSWSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
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'}

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Related Compounds

CID 5387762
CID 5387762
(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 5467289
(5E)-2-[(dimethylamino)methyl]-5-hexylidenecyclopentan-1-one
CID 5467295
(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one;hydrochloride
CID 21141929
N,N-Diethyl-2-oxo-4,6,6-trimethyl-3-cyclohexene-1-carboxamide
CID 4385765
4-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
CID 86010840
(5Z)-2-[(dimethylamino)methyl]-5-pentylidene-cyclopentanone;hydrochloride
CID 5387763
(3E)-3-ethylidene-N-methyl-2-oxo-1-pent-2-ynyl-N-prop-2-enylcyclopentane-1-carboxamide
CID 135037624
(1S,2S,6S,7R)-N,N-diethyl-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxamide
CID 135068523
(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one
CID 5387765
(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
CID 5467290
(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one
CID 6375330

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The IUPAC name of (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (CID 101108150) is (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The canonical SMILES for (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is C=CCN(CC=C)C(=O)C1CC/C(=C\C)C1=O.
What is the InChIKey of (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The InChIKey is VXTFGUXCZWQONZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-9-15(10-5-2)14(17)12-8-7-11(6-3)13(12)16/h4-6,12H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 101108150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).