N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide

C11H17NO2 — CID 11095533

IUPACN-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C11H17NO2/c1-3-8-12(2)11(14)9-6-4-5-7-10(9)13/h3,9H,1,4-8H2,2H3
InChIKeyMQYROSKULIWBBZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide

N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 11095533) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID11095533
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C11H17NO2/c1-3-8-12(2)11(14)9-6-4-5-7-10(9)13/h3,9H,1,4-8H2,2H3
InChIKeyMQYROSKULIWBBZ-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
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-Allylmethyprylon
CID 129333
N-ethyl-4,4-dimethyl-2,6-dioxo-N-prop-2-enylcyclohexane-1-carboxamide
CID 6501549
N,N-diallyl-2-oxocyclohexane-carboxamide
CID 11042284
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
2-ethyl-N,N-diprop-2-enylhexanamide
CID 4309154
N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900860
4,4-dimethyl-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900861
N-methyl-N-(2-methylallyl)-2-oxocyclopentane-1-carboxamide
CID 145707125
4,4-difluoro-N-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 167942850
N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
CID 10656018

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide (CID 11095533) is N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide is C=CCN(C)C(=O)C1CCCCC1=O.
What is the InChIKey of N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is MQYROSKULIWBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-12(2)11(14)9-6-4-5-7-10(9)13/h3,9H,1,4-8H2,2H3.
What are the key properties of N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide?
N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 11095533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).