methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate

C9H13NO3 — CID 69478465

IUPACmethyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESCOC(=O)C(C)=CN1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-7(9(12)13-2)6-10-5-3-4-8(10)11/h6H,3-5H2,1-2H3
InChIKeyHFTVPCMIENNXAP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate

methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate (PubChem CID 69478465) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
PubChem CID69478465
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESCOC(=O)C(C)=CN1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-7(9(12)13-2)6-10-5-3-4-8(10)11/h6H,3-5H2,1-2H3
InChIKeyHFTVPCMIENNXAP-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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'}

Analyze methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The IUPAC name of methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate (CID 69478465) is methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate is COC(=O)C(C)=CN1CCCC1=O.
What is the InChIKey of methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The InChIKey is HFTVPCMIENNXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(9(12)13-2)6-10-5-3-4-8(10)11/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate is sourced from PubChem (CID 69478465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).