5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide

C11H19NO2 — CID 87694717

IUPAC5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)N=O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(13)12-14/h7-10H,4-6H2,1-3H3
InChIKeyYYNBHNAZHRGTRW-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.99
Rot. Bonds2

About 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 87694717) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID87694717
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)N=O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(13)12-14/h7-10H,4-6H2,1-3H3
InChIKeyYYNBHNAZHRGTRW-UHFFFAOYSA-N
XLogP2.99
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)penta-2,3-dienedioic acid
CID 22468078
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
CID 54349624
methyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 66779130
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
CID 173436391
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide (CID 87694717) is 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)N=O)C1.
What is the InChIKey of 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is YYNBHNAZHRGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)9-5-4-8(3)6-10(9)11(13)12-14/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 87694717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).