1-(1-amino-2-ethenylcyclopropyl)ethanone

C7H11NO — CID 22082809

IUPAC1-(1-amino-2-ethenylcyclopropyl)ethanone
SMILESC=CC1CC1(N)C(C)=O
InChIInChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3
InChIKeyAKONXAIKHSMXMD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.48
Rot. Bonds2

About 1-(1-amino-2-ethenylcyclopropyl)ethanone

1-(1-amino-2-ethenylcyclopropyl)ethanone (PubChem CID 22082809) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1-amino-2-ethenylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(1-amino-2-ethenylcyclopropyl)ethanone
PubChem CID22082809
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(1-amino-2-ethenylcyclopropyl)ethanone
SMILESC=CC1CC1(N)C(C)=O
InChIInChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3
InChIKeyAKONXAIKHSMXMD-UHFFFAOYSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-amino-2-ethenylcyclopropyl)ethanone 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 1-(1-amino-2-ethenylcyclopropyl)ethanone?
The IUPAC name of 1-(1-amino-2-ethenylcyclopropyl)ethanone (CID 22082809) is 1-(1-amino-2-ethenylcyclopropyl)ethanone.
What is the SMILES notation for 1-(1-amino-2-ethenylcyclopropyl)ethanone?
The canonical SMILES for 1-(1-amino-2-ethenylcyclopropyl)ethanone is C=CC1CC1(N)C(C)=O.
What is the InChIKey of 1-(1-amino-2-ethenylcyclopropyl)ethanone?
The InChIKey is AKONXAIKHSMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3.
What are the key properties of 1-(1-amino-2-ethenylcyclopropyl)ethanone?
1-(1-amino-2-ethenylcyclopropyl)ethanone has a molecular weight of 125.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-ethenylcyclopropyl)ethanone is sourced from PubChem (CID 22082809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).