1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid

C10H13NO3 — CID 64766479

IUPAC1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C10H13NO3/c12-9(7-3-1-2-4-7)11-5-8(6-11)10(13)14/h1-2,7-8H,3-6H2,(H,13,14)
InChIKeyDPBXARNQTYNWKU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.50
Rot. Bonds2

About 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid

1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid (PubChem CID 64766479) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid
PubChem CID64766479
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C10H13NO3/c12-9(7-3-1-2-4-7)11-5-8(6-11)10(13)14/h1-2,7-8H,3-6H2,(H,13,14)
InChIKeyDPBXARNQTYNWKU-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid (CID 64766479) is 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)C2CC=CC2)C1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is DPBXARNQTYNWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(7-3-1-2-4-7)11-5-8(6-11)10(13)14/h1-2,7-8H,3-6H2,(H,13,14).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid?
1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 64766479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).