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

C16H21NO2 — CID 101108152

IUPAC(3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C2CC2)C1=O
InChIInChI=1S/C16H21NO2/c1-3-9-17(10-4-2)16(19)14-8-7-13(15(14)18)11-12-5-6-12/h3-4,11-12,14H,1-2,5-10H2/b13-11+
InChIKeyNPPDPJHZSSILRC-ACCUITESSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds6

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

(3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (PubChem CID 101108152) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
PubChem CID101108152
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC/C(=C\C2CC2)C1=O
InChIInChI=1S/C16H21NO2/c1-3-9-17(10-4-2)16(19)14-8-7-13(15(14)18)11-12-5-6-12/h3-4,11-12,14H,1-2,5-10H2/b13-11+
InChIKeyNPPDPJHZSSILRC-ACCUITESSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
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

4-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
CID 86010840
(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
(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
(3E)-3-(3-methylbut-2-enylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 101015739
(3E)-3-[(2E,4E)-hexa-2,4-dienylidene]-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 101015741
N-but-3-enyl-N,3,3-trimethyl-5-oxocyclopentene-1-carboxamide
CID 101055439
(3E)-3-ethylidene-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 101108150
2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 101108151

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The IUPAC name of (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (CID 101108152) is (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The canonical SMILES for (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is C=CCN(CC=C)C(=O)C1CC/C(=C\C2CC2)C1=O.
What is the InChIKey of (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The InChIKey is NPPDPJHZSSILRC-ACCUITESSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-17(10-4-2)16(19)14-8-7-13(15(14)18)11-12-5-6-12/h3-4,11-12,14H,1-2,5-10H2/b13-11+.
What are the key properties of (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
(3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(cyclopropylmethylidene)-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 101108152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).