2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide

C13H19NO2 — CID 11042284

IUPAC2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCC1=O
InChIInChI=1S/C13H19NO2/c1-3-9-14(10-4-2)13(16)11-7-5-6-8-12(11)15/h3-4,11H,1-2,5-10H2
InChIKeyOMGQZNWRAXQSEJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.95
Rot. Bonds5

About 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide

2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide (PubChem CID 11042284) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
PubChem CID11042284
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCC1=O
InChIInChI=1S/C13H19NO2/c1-3-9-14(10-4-2)13(16)11-7-5-6-8-12(11)15/h3-4,11H,1-2,5-10H2
InChIKeyOMGQZNWRAXQSEJ-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.95
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'}

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Related Compounds

N,N,N',N'-tetraallyl-1,4-cyclohexanedicarboxamide
CID 2984762
N-ethyl-4,4-dimethyl-2,6-dioxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 6501549
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900860
N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
CID 10656018
N-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
CID 10954142
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 10987824
N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 11095533
(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 14413604
N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide
CID 18337142
2-[[Bis(prop-2-enyl)amino]methyl]cyclohexane-1,3-dione
CID 67813548

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide (CID 11042284) is 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide is C=CCN(CC=C)C(=O)C1CCCCC1=O.
What is the InChIKey of 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The InChIKey is OMGQZNWRAXQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-14(10-4-2)13(16)11-7-5-6-8-12(11)15/h3-4,11H,1-2,5-10H2.
What are the key properties of 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11042284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).