2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

C15H21NO2 — CID 101108151

IUPAC2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCC(=C(C)C)C1=O
InChIInChI=1S/C15H21NO2/c1-5-9-16(10-6-2)15(18)13-8-7-12(11(3)4)14(13)17/h5-6,13H,1-2,7-10H2,3-4H3
InChIKeyMDHREXYTDDOUDN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds5

About 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide

2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (PubChem CID 101108151) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
PubChem CID101108151
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCC(=C(C)C)C1=O
InChIInChI=1S/C15H21NO2/c1-5-9-16(10-6-2)15(18)13-8-7-12(11(3)4)14(13)17/h5-6,13H,1-2,7-10H2,3-4H3
InChIKeyMDHREXYTDDOUDN-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
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

(5E)-2-[(dimethylamino)methyl]-5-hexylidenecyclopentan-1-one
CID 5467295
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
(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
CID 5467290
(5E)-2-[(dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one
CID 6375330
N,N-diethyl-5-oxocyclopentene-1-carboxamide
CID 15548449
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide (CID 101108151) is 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is C=CCN(CC=C)C(=O)C1CCC(=C(C)C)C1=O.
What is the InChIKey of 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
The InChIKey is MDHREXYTDDOUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-9-16(10-6-2)15(18)13-8-7-12(11(3)4)14(13)17/h5-6,13H,1-2,7-10H2,3-4H3.
What are the key properties of 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide?
2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-propan-2-ylidene-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 101108151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).