N,N-dimethyl-2-oxocyclohexane-1-carboxamide

C9H15NO2 — CID 541996

IUPACN,N-dimethyl-2-oxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h7H,3-6H2,1-2H3
InChIKeySKMOVDJCNIGXKW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About N,N-dimethyl-2-oxocyclohexane-1-carboxamide

N,N-dimethyl-2-oxocyclohexane-1-carboxamide (PubChem CID 541996) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N,N-dimethyl-2-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxocyclohexane-1-carboxamide
PubChem CID541996
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN,N-dimethyl-2-oxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCCC1=O
InChIInChI=1S/C9H15NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h7H,3-6H2,1-2H3
InChIKeySKMOVDJCNIGXKW-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxocyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxocyclohexane-1-carboxamide (CID 541996) is N,N-dimethyl-2-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxocyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxocyclohexane-1-carboxamide is CN(C)C(=O)C1CCCCC1=O.
What is the InChIKey of N,N-dimethyl-2-oxocyclohexane-1-carboxamide?
The InChIKey is SKMOVDJCNIGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h7H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxocyclohexane-1-carboxamide?
N,N-dimethyl-2-oxocyclohexane-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 541996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).