1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid

C9H13NO3 — CID 50966461

IUPAC1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H13NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h7H,1,3-5H2,2H3,(H,12,13)
InChIKeyXKOQRFKYLNVHSA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.50
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 50966461) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID50966461
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESC=C(C)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H13NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h7H,1,3-5H2,2H3,(H,12,13)
InChIKeyXKOQRFKYLNVHSA-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid 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

1-Methyl-5-oxopyrrolidine-3-carboxylic acid
CID 122766
5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3163418
1-[3-(Dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3023569
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Allyl-5-Oxopyrrolidine-3-Carboxylic Acid
CID 3152393
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
1-(Cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 16784378
1-(Prop-2-enoyl)pyrrolidine-3-carboxylic acid
CID 23034656
4-[3-(Fluoromethyl)-4-methylidenepyrrolidin-1-yl]-4-oxobutanoic acid
CID 22960031

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid (CID 50966461) is 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid is C=C(C)CN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XKOQRFKYLNVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h7H,1,3-5H2,2H3,(H,12,13).
What are the key properties of 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50966461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).