(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide

C9H15NO3 — CID 171777664

IUPAC(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyCBHWHESBGYQWDY-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds2

About (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide

(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide (PubChem CID 171777664) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
PubChem CID171777664
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyCBHWHESBGYQWDY-SSDOTTSWSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
CID 172509097
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
CID 146165342
(1S)-3-oxocyclohexane-1-carboxamide
CID 124538181
3-oxocyclohexane-1-carboxamide
CID 55290192
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
N-methoxy-N-methyl-2-oxocyclohexane-1-carboxamide
CID 11789909
ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
CID 81140301
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
methyl N-methyl-N-(3-oxocyclohexyl)carbamate
CID 45119437
N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
CID 12990999

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?
The IUPAC name of (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide (CID 171777664) is (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?
The canonical SMILES for (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide is CON(C)C(=O)[C@@H]1CCCC(=O)C1.
What is the InChIKey of (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?
The InChIKey is CBHWHESBGYQWDY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(13-2)9(12)7-4-3-5-8(11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide?
(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 171777664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).