2-(5-oxopyrrolidin-2-yl)ethyl formate

C7H11NO3 — CID 174662613

IUPAC2-(5-oxopyrrolidin-2-yl)ethyl formate
SMILESO=COCCC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-5-11-4-3-6-1-2-7(10)8-6/h5-6H,1-4H2,(H,8,10)
InChIKeyJZABJZZRZCCGTR-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds4

About 2-(5-oxopyrrolidin-2-yl)ethyl formate

2-(5-oxopyrrolidin-2-yl)ethyl formate (PubChem CID 174662613) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)ethyl formate
PubChem CID174662613
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(5-oxopyrrolidin-2-yl)ethyl formate
SMILESO=COCCC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c9-5-11-4-3-6-1-2-7(10)8-6/h5-6H,1-4H2,(H,8,10)
InChIKeyJZABJZZRZCCGTR-UHFFFAOYSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-oxopyrrolidin-2-yl)methyl formate
CID 21221170
2-(6-oxopiperidin-3-yl)ethyl formate
CID 174762634
4-[(2R)-5-oxopyrrolidin-2-yl]butanal
CID 11423711
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
CID 171329412
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
5-but-3-ynylpyrrolidin-2-one
CID 15531515
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
5-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67255419
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
5-pent-3-ynylpyrrolidin-2-one
CID 11217347

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)ethyl formate?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)ethyl formate (CID 174662613) is 2-(5-oxopyrrolidin-2-yl)ethyl formate.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)ethyl formate?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)ethyl formate is O=COCCC1CCC(=O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)ethyl formate?
The InChIKey is JZABJZZRZCCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-11-4-3-6-1-2-7(10)8-6/h5-6H,1-4H2,(H,8,10).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)ethyl formate?
2-(5-oxopyrrolidin-2-yl)ethyl formate has a molecular weight of 157.17 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)ethyl formate is sourced from PubChem (CID 174662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).