1-pentanoylpyrrolidin-2-one

C9H15NO2 — CID 14811460

IUPAC1-pentanoylpyrrolidin-2-one
SMILESCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-2-3-5-8(11)10-7-4-6-9(10)12/h2-7H2,1H3
InChIKeySOBBDDQZFAWLHM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.33
Rot. Bonds3

About 1-pentanoylpyrrolidin-2-one

1-pentanoylpyrrolidin-2-one (PubChem CID 14811460) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-pentanoylpyrrolidin-2-one.

Molecular Properties

Compound Name1-pentanoylpyrrolidin-2-one
PubChem CID14811460
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-pentanoylpyrrolidin-2-one
SMILESCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-2-3-5-8(11)10-7-4-6-9(10)12/h2-7H2,1H3
InChIKeySOBBDDQZFAWLHM-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
N-Ethylsuccinimide
CID 16842
2-Pyrrolidinone, 1-acetyl-
CID 70266
2-Pyrrolidinone, 1-butyl-
CID 18984
1-Pentyl-2,5-pyrrolidinedione
CID 79245
1-(Pyrrolidin-1-yl)hexan-1-one
CID 246835
1,5-Dimethylpyrrolidin-2-one
CID 101194
1-Butylpyrrolidine-2,5-dione
CID 137956
Pyrrolidine, 1-(1-oxobutyl)-
CID 303117
2-Pyrrolidinone, 1-hexyl-
CID 78555
1-Propyl-pyrrolidin-2-one
CID 566544

Frequently Asked Questions

What is the IUPAC name of 1-pentanoylpyrrolidin-2-one?
The IUPAC name of 1-pentanoylpyrrolidin-2-one (CID 14811460) is 1-pentanoylpyrrolidin-2-one.
What is the SMILES notation for 1-pentanoylpyrrolidin-2-one?
The canonical SMILES for 1-pentanoylpyrrolidin-2-one is CCCCC(=O)N1CCCC1=O.
What is the InChIKey of 1-pentanoylpyrrolidin-2-one?
The InChIKey is SOBBDDQZFAWLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-5-8(11)10-7-4-6-9(10)12/h2-7H2,1H3.
What are the key properties of 1-pentanoylpyrrolidin-2-one?
1-pentanoylpyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanoylpyrrolidin-2-one is sourced from PubChem (CID 14811460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).