N-[(1S)-2-oxocyclohexyl]butanamide

C10H17NO2 — CID 11229167

IUPACN-[(1S)-2-oxocyclohexyl]butanamide
SMILESCCCC(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C10H17NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8H,2-7H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyINWDWRVLQQIZGO-QMMMGPOBSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds3

About N-[(1S)-2-oxocyclohexyl]butanamide

N-[(1S)-2-oxocyclohexyl]butanamide (PubChem CID 11229167) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1S)-2-oxocyclohexyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-2-oxocyclohexyl]butanamide
PubChem CID11229167
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1S)-2-oxocyclohexyl]butanamide
SMILESCCCC(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C10H17NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8H,2-7H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyINWDWRVLQQIZGO-QMMMGPOBSA-N
XLogP1.41
TPSA46.17 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-N-(2-oxocyclohexyl)dodecanamide
CID 10470602
N-Cyclohexylacetoacetamide
CID 70805
N-Cyclohexylbutyramide
CID 221801
N-(4-Oxocyclohexyl)acetamide
CID 538565
Hexanamide, N-isopropyl
CID 528620
3-oxo-N-(2-oxocyclohexyl)pentanamide
CID 155543620
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
CID 10563118
(S)-2-Acetamido-6-aminohexanamide
CID 7021885
(S)-2-(Acetylamino)-6-amino-N-methylhexanamide
CID 111199
(3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione
CID 89835123
N-cyclohexylpentanamide
CID 280980
Mercury, chloro(2-hexanamidocyclohexyl)-, (E)-
CID 52706

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxocyclohexyl]butanamide?
The IUPAC name of N-[(1S)-2-oxocyclohexyl]butanamide (CID 11229167) is N-[(1S)-2-oxocyclohexyl]butanamide.
What is the SMILES notation for N-[(1S)-2-oxocyclohexyl]butanamide?
The canonical SMILES for N-[(1S)-2-oxocyclohexyl]butanamide is CCCC(=O)N[C@H]1CCCCC1=O.
What is the InChIKey of N-[(1S)-2-oxocyclohexyl]butanamide?
The InChIKey is INWDWRVLQQIZGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8H,2-7H2,1H3,(H,11,13)/t8-/m0/s1.
What are the key properties of N-[(1S)-2-oxocyclohexyl]butanamide?
N-[(1S)-2-oxocyclohexyl]butanamide has a molecular weight of 183.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxocyclohexyl]butanamide is sourced from PubChem (CID 11229167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).