(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate

C9H13NO3 — CID 18414897

IUPAC(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-7(2)9(12)13-6-10-5-3-4-8(10)11/h1,3-6H2,2H3
InChIKeyCYRKCTYDKNSRQV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.69
Rot. Bonds3

About (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate

(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 18414897) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate
PubChem CID18414897
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-7(2)9(12)13-6-10-5-3-4-8(10)11/h1,3-6H2,2H3
InChIKeyCYRKCTYDKNSRQV-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate (CID 18414897) is (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCN1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is CYRKCTYDKNSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)9(12)13-6-10-5-3-4-8(10)11/h1,3-6H2,2H3.
What are the key properties of (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate?
(2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 18414897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).