1-pentanoylazepan-2-one

C11H19NO2 — CID 19994064

IUPAC1-pentanoylazepan-2-one
SMILESCCCCC(=O)N1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-3-7-10(13)12-9-6-4-5-8-11(12)14/h2-9H2,1H3
InChIKeyQDTNLDWMQSVAMT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.11
Rot. Bonds3

About 1-pentanoylazepan-2-one

1-pentanoylazepan-2-one (PubChem CID 19994064) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-pentanoylazepan-2-one.

Molecular Properties

Compound Name1-pentanoylazepan-2-one
PubChem CID19994064
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-pentanoylazepan-2-one
SMILESCCCCC(=O)N1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-3-7-10(13)12-9-6-4-5-8-11(12)14/h2-9H2,1H3
InChIKeyQDTNLDWMQSVAMT-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Laurocapram
CID 42981
N-Methylcaprolactam
CID 17369
N-Acetylcaprolactam
CID 15904
1-Ethylazepan-2-one
CID 29779
1-Octylazepin-2-one
CID 2754067
N,N-Dibutylhexanamide
CID 304113
Tert-butyl 2-oxoazepane-1-carboxylate
CID 11424412
N,N-Dipropylhexanamide
CID 221999
1-(Azepan-1-yl)hexan-1-one
CID 246832
N,N-Diethylhexanamide
CID 221977
2H-Azepin-2-one, hexahydro-N-lauroyl-
CID 21713
1-(Azepan-1-yl)decan-1-one
CID 303107

Frequently Asked Questions

What is the IUPAC name of 1-pentanoylazepan-2-one?
The IUPAC name of 1-pentanoylazepan-2-one (CID 19994064) is 1-pentanoylazepan-2-one.
What is the SMILES notation for 1-pentanoylazepan-2-one?
The canonical SMILES for 1-pentanoylazepan-2-one is CCCCC(=O)N1CCCCCC1=O.
What is the InChIKey of 1-pentanoylazepan-2-one?
The InChIKey is QDTNLDWMQSVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-7-10(13)12-9-6-4-5-8-11(12)14/h2-9H2,1H3.
What are the key properties of 1-pentanoylazepan-2-one?
1-pentanoylazepan-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanoylazepan-2-one is sourced from PubChem (CID 19994064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).