methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate

C12H19NO4 — CID 11287941

IUPACmethyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate
SMILESC=CCOCCCN1CC(C(=O)OC)CC1=O
InChIInChI=1S/C12H19NO4/c1-3-6-17-7-4-5-13-9-10(8-11(13)14)12(15)16-2/h3,10H,1,4-9H2,2H3
InChIKeyCVVYLKUTXUYPFY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.60
Rot. Bonds7

About methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate (PubChem CID 11287941) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate
PubChem CID11287941
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate
SMILESC=CCOCCCN1CC(C(=O)OC)CC1=O
InChIInChI=1S/C12H19NO4/c1-3-6-17-7-4-5-13-9-10(8-11(13)14)12(15)16-2/h3,10H,1,4-9H2,2H3
InChIKeyCVVYLKUTXUYPFY-UHFFFAOYSA-N
XLogP0.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate (CID 11287941) is methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate is C=CCOCCCN1CC(C(=O)OC)CC1=O.
What is the InChIKey of methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate?
The InChIKey is CVVYLKUTXUYPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-6-17-7-4-5-13-9-10(8-11(13)14)12(15)16-2/h3,10H,1,4-9H2,2H3.
What are the key properties of methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(3-prop-2-enoxypropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 11287941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).