methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate

C10H14N2O3 — CID 123219468

IUPACmethyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC/C(=N\C=CC=O)N1C
InChIInChI=1S/C10H14N2O3/c1-12-8(10(14)15-2)4-5-9(12)11-6-3-7-13/h3,6-8H,4-5H2,1-2H3/b6-3?,11-9+
InChIKeyUSVCRCOGBJNACK-BHZCRLBPSA-N
MW210.23 g/mol
LogP0.36
Rot. Bonds3

About methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate

methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate (PubChem CID 123219468) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate
PubChem CID123219468
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC/C(=N\C=CC=O)N1C
InChIInChI=1S/C10H14N2O3/c1-12-8(10(14)15-2)4-5-9(12)11-6-3-7-13/h3,6-8H,4-5H2,1-2H3/b6-3?,11-9+
InChIKeyUSVCRCOGBJNACK-BHZCRLBPSA-N
XLogP0.36
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate 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 (6S)-4,6,7,8-tetrahydro-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 57907453
methyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 68059136
formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 143873424
sodium 1-formyl-5-[(Z)-prop-1-enyl]iminopyrrolidine-2-carboxylate
CID 145568787
Ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 151609230
ethyl (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178137717
methyl (6R)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178138377
methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 143873425
1-methyl-5-[(Z)-3-oxoprop-1-enyl]iminopyrrolidine-2-carboxylic acid
CID 178139138

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate (CID 123219468) is methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate is COC(=O)C1CC/C(=N\C=CC=O)N1C.
What is the InChIKey of methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate?
The InChIKey is USVCRCOGBJNACK-BHZCRLBPSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-8(10(14)15-2)4-5-9(12)11-6-3-7-13/h3,6-8H,4-5H2,1-2H3/b6-3?,11-9+.
What are the key properties of methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate?
methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-(3-oxoprop-1-enylimino)pyrrolidine-2-carboxylate is sourced from PubChem (CID 123219468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).