3-prop-1-enylazetidine-1-carboxylic acid

C7H11NO2 — CID 155390165

IUPAC3-prop-1-enylazetidine-1-carboxylic acid
SMILESCC=CC1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyWXQLQFTWHUYMSM-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.17
Rot. Bonds1

About 3-prop-1-enylazetidine-1-carboxylic acid

3-prop-1-enylazetidine-1-carboxylic acid (PubChem CID 155390165) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-prop-1-enylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-prop-1-enylazetidine-1-carboxylic acid
PubChem CID155390165
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-prop-1-enylazetidine-1-carboxylic acid
SMILESCC=CC1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyWXQLQFTWHUYMSM-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-prop-1-enylazetidine-1-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

3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid
CID 155390310
3-(2-Fluoroethenyl)azetidine-1-carboxylic acid
CID 155390311
3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66706193
3-(2-Trimethylstannylethenyl)azetidine-1-carboxylic acid
CID 70984586
3-[(E)-2-iodoethenyl]azetidine-1-carboxylic acid
CID 89158697
3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid
CID 89159206
3-(2-Iodoethenyl)azetidine-1-carboxylic acid
CID 141356643
3-Ethenylazetidine-1-carboxylic acid
CID 141408569
3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid
CID 155390164
Hex-3-enyl(methyl)carbamic acid
CID 174744143

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylazetidine-1-carboxylic acid?
The IUPAC name of 3-prop-1-enylazetidine-1-carboxylic acid (CID 155390165) is 3-prop-1-enylazetidine-1-carboxylic acid.
What is the SMILES notation for 3-prop-1-enylazetidine-1-carboxylic acid?
The canonical SMILES for 3-prop-1-enylazetidine-1-carboxylic acid is CC=CC1CN(C(=O)O)C1.
What is the InChIKey of 3-prop-1-enylazetidine-1-carboxylic acid?
The InChIKey is WXQLQFTWHUYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-6-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 3-prop-1-enylazetidine-1-carboxylic acid?
3-prop-1-enylazetidine-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylazetidine-1-carboxylic acid is sourced from PubChem (CID 155390165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).