1-(2-oxopropyl)cyclohexane-1-carboxamide

C10H17NO2 — CID 20653176

IUPAC1-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-7H2,1H3,(H2,11,13)
InChIKeyQBKLXYNQLQNOAH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-oxopropyl)cyclohexane-1-carboxamide

1-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 20653176) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID20653176
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-7H2,1H3,(H2,11,13)
InChIKeyQBKLXYNQLQNOAH-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 134371730
1-ethylcyclopentane-1-carboxamide
CID 55285008
1-butylcyclohexane-1-carboxamide
CID 57018178
1-[(dimethylamino)methyl]cyclopentane-1-carboxamide
CID 67060933
1-prop-2-enylcyclohexane-1-carboxamide
CID 15707441
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
CID 67540798
1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382
1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
CID 66641260
1-[1-(dimethylamino)cyclohexyl]propan-2-one
CID 58143295
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720546
acetamide;cyclopentane
CID 67941075

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-oxopropyl)cyclohexane-1-carboxamide (CID 20653176) is 1-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-oxopropyl)cyclohexane-1-carboxamide is CC(=O)CC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is QBKLXYNQLQNOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-7H2,1H3,(H2,11,13).
What are the key properties of 1-(2-oxopropyl)cyclohexane-1-carboxamide?
1-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20653176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).