3-(2-oxopyrrolidin-1-yl)propyl acetate

C9H15NO3 — CID 71390643

IUPAC3-(2-oxopyrrolidin-1-yl)propyl acetate
SMILESCC(=O)OCCCN1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-8(11)13-7-3-6-10-5-2-4-9(10)12/h2-7H2,1H3
InChIKeyYVTYKRYVHZTBPJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)propyl acetate

3-(2-oxopyrrolidin-1-yl)propyl acetate (PubChem CID 71390643) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propyl acetate.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propyl acetate
PubChem CID71390643
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2-oxopyrrolidin-1-yl)propyl acetate
SMILESCC(=O)OCCCN1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-8(11)13-7-3-6-10-5-2-4-9(10)12/h2-7H2,1H3
InChIKeyYVTYKRYVHZTBPJ-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;6-(2-oxopyrrolidin-1-yl)hexyl acetate
CID 145314594
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
propane;1-[3-(3-prop-1-en-2-yliminoprop-1-en-2-yloxy)propyl]pyrrolidin-2-one
CID 145198136
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
CID 70824820
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)propyl acetate?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propyl acetate (CID 71390643) is 3-(2-oxopyrrolidin-1-yl)propyl acetate.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propyl acetate?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propyl acetate is CC(=O)OCCCN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propyl acetate?
The InChIKey is YVTYKRYVHZTBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(11)13-7-3-6-10-5-2-4-9(10)12/h2-7H2,1H3.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propyl acetate?
3-(2-oxopyrrolidin-1-yl)propyl acetate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propyl acetate is sourced from PubChem (CID 71390643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).