methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

C10H13NO3 — CID 140991518

IUPACmethyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OC
InChIInChI=1S/C10H13NO3/c1-3-11-6-4-5-9(11)8(7-12)10(13)14-2/h3,9H,1,4-6H2,2H3
InChIKeyMOKAIXXLLWAAEK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds3

About methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (PubChem CID 140991518) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
PubChem CID140991518
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OC
InChIInChI=1S/C10H13NO3/c1-3-11-6-4-5-9(11)8(7-12)10(13)14-2/h3,9H,1,4-6H2,2H3
InChIKeyMOKAIXXLLWAAEK-UHFFFAOYSA-N
XLogP0.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-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

Related Compounds

methyl 1-ethenylpyrrolidine-2-carboxylate
CID 144567837
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
bis(1-ethenylpiperidin-2-yl)methanone
CID 174822016
1-ethenyl-2-prop-1-en-2-ylpyrrolidine
CID 155697098
N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
CID 142013187
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)prop-2-enoate
CID 79896067
methyl 2-(1-methylpiperidin-2-yl)prop-2-enoate
CID 117266926
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 2-(4-hydroxyazepan-1-yl)-2-oxoacetate
CID 131203873

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The IUPAC name of methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (CID 140991518) is methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.
What is the SMILES notation for methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The canonical SMILES for methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is C=CN1CCCC1C(=C=O)C(=O)OC.
What is the InChIKey of methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The InChIKey is MOKAIXXLLWAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11-6-4-5-9(11)8(7-12)10(13)14-2/h3,9H,1,4-6H2,2H3.
What are the key properties of methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate has a molecular weight of 195.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is sourced from PubChem (CID 140991518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).