1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde

C10H12N2O — CID 164651516

IUPAC1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CC1CC=CC1
InChIInChI=1S/C10H12N2O/c13-8-10-11-5-6-12(10)7-9-3-1-2-4-9/h1-2,5-6,8-9H,3-4,7H2
InChIKeyMMVLNYMQJCOWNI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.66
Rot. Bonds3

About 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde

1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde (PubChem CID 164651516) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde
PubChem CID164651516
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CC1CC=CC1
InChIInChI=1S/C10H12N2O/c13-8-10-11-5-6-12(10)7-9-3-1-2-4-9/h1-2,5-6,8-9H,3-4,7H2
InChIKeyMMVLNYMQJCOWNI-UHFFFAOYSA-N
XLogP1.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde (CID 164651516) is 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde is O=Cc1nccn1CC1CC=CC1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde?
The InChIKey is MMVLNYMQJCOWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-8-10-11-5-6-12(10)7-9-3-1-2-4-9/h1-2,5-6,8-9H,3-4,7H2.
What are the key properties of 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde?
1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 164651516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).