(3-methyl-2-oxopyrrolidin-3-yl)methyl formate

C7H11NO3 — CID 174878046

IUPAC(3-methyl-2-oxopyrrolidin-3-yl)methyl formate
SMILESCC1(COC=O)CCNC1=O
InChIInChI=1S/C7H11NO3/c1-7(4-11-5-9)2-3-8-6(7)10/h5H,2-4H2,1H3,(H,8,10)
InChIKeyKDXXMUNHRIJIBX-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.31
Rot. Bonds3

About (3-methyl-2-oxopyrrolidin-3-yl)methyl formate

(3-methyl-2-oxopyrrolidin-3-yl)methyl formate (PubChem CID 174878046) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3-methyl-2-oxopyrrolidin-3-yl)methyl formate.

Molecular Properties

Compound Name(3-methyl-2-oxopyrrolidin-3-yl)methyl formate
PubChem CID174878046
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3-methyl-2-oxopyrrolidin-3-yl)methyl formate
SMILESCC1(COC=O)CCNC1=O
InChIInChI=1S/C7H11NO3/c1-7(4-11-5-9)2-3-8-6(7)10/h5H,2-4H2,1H3,(H,8,10)
InChIKeyKDXXMUNHRIJIBX-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxopyrrolidin-3-yl)methyl formate?
The IUPAC name of (3-methyl-2-oxopyrrolidin-3-yl)methyl formate (CID 174878046) is (3-methyl-2-oxopyrrolidin-3-yl)methyl formate.
What is the SMILES notation for (3-methyl-2-oxopyrrolidin-3-yl)methyl formate?
The canonical SMILES for (3-methyl-2-oxopyrrolidin-3-yl)methyl formate is CC1(COC=O)CCNC1=O.
What is the InChIKey of (3-methyl-2-oxopyrrolidin-3-yl)methyl formate?
The InChIKey is KDXXMUNHRIJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(4-11-5-9)2-3-8-6(7)10/h5H,2-4H2,1H3,(H,8,10).
What are the key properties of (3-methyl-2-oxopyrrolidin-3-yl)methyl formate?
(3-methyl-2-oxopyrrolidin-3-yl)methyl formate has a molecular weight of 157.17 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxopyrrolidin-3-yl)methyl formate is sourced from PubChem (CID 174878046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).