methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate

C10H17NO2 — CID 18713591

IUPACmethyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate
SMILESC=CCN1CC(C)C(C(=O)OC)C1
InChIInChI=1S/C10H17NO2/c1-4-5-11-6-8(2)9(7-11)10(12)13-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYMPCLJMOJXCNPL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.91
Rot. Bonds3

About methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate

methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate (PubChem CID 18713591) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate
PubChem CID18713591
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate
SMILESC=CCN1CC(C)C(C(=O)OC)C1
InChIInChI=1S/C10H17NO2/c1-4-5-11-6-8(2)9(7-11)10(12)13-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYMPCLJMOJXCNPL-UHFFFAOYSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-methyl-1-prop-2-enylpyrrolidine-3-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

rac-methyl (3R,4R)-1,4-dimethylpyrrolidine-3-carboxylate
CID 130620549
Methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
CID 10398237
1-Allyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 10997692
Methyl 4-tert-butyl-1-prop-2-enylpyrrolidine-3-carboxylate
CID 18388389
Methyl 1,4-dimethylpyrrolidine-3-carboxylate
CID 18713590
1-Methyl-1-prop-2-enylpyrrolidin-1-ium-3-carboxylate
CID 19900213
1-Methyl-1-prop-2-enylpyrrolidin-1-ium-3-carboxylic acid
CID 19900214
Methyl 1-propylpyrrolidine-3-carboxylate
CID 20216342
Methyl 2-oxo-1-prop-2-enylpyrrolidine-3-carboxylate
CID 53817339
Prop-2-enyl 1-methylpyrrolidine-3-carboxylate
CID 58293337
Methyl 4-methyl-1-propylpyrrolidine-3-carboxylate
CID 59678046
Methyl 4-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylate
CID 59678351

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate (CID 18713591) is methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate is C=CCN1CC(C)C(C(=O)OC)C1.
What is the InChIKey of methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate?
The InChIKey is YMPCLJMOJXCNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-11-6-8(2)9(7-11)10(12)13-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate?
methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-prop-2-enylpyrrolidine-3-carboxylate is sourced from PubChem (CID 18713591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).