2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde

C5H7NO — CID 173481786

IUPAC2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde
SMILESNCC1=CC1C=O
InChIInChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h1,3,5H,2,6H2
InChIKeyAEKGWXUCECMVKR-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.30
Rot. Bonds2

About 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde

2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde (PubChem CID 173481786) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde
PubChem CID173481786
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde
SMILESNCC1=CC1C=O
InChIInChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h1,3,5H,2,6H2
InChIKeyAEKGWXUCECMVKR-UHFFFAOYSA-N
XLogP-0.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde 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 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde?
The IUPAC name of 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde (CID 173481786) is 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde?
The canonical SMILES for 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde is NCC1=CC1C=O.
What is the InChIKey of 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde?
The InChIKey is AEKGWXUCECMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h1,3,5H,2,6H2.
What are the key properties of 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde?
2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde has a molecular weight of 97.12 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)cycloprop-2-ene-1-carbaldehyde is sourced from PubChem (CID 173481786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).