(E)-2-amino-2-cyclopropylethenol

C5H9NO — CID 140634221

IUPAC(E)-2-amino-2-cyclopropylethenol
SMILESN/C(=C/O)C1CC1
InChIInChI=1S/C5H9NO/c6-5(3-7)4-1-2-4/h3-4,7H,1-2,6H2/b5-3+
InChIKeyZEJMMEHWMJBKHO-HWKANZROSA-N
MW99.13 g/mol
LogP0.75
Rot. Bonds1

About (E)-2-amino-2-cyclopropylethenol

(E)-2-amino-2-cyclopropylethenol (PubChem CID 140634221) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-2-amino-2-cyclopropylethenol.

Molecular Properties

Compound Name(E)-2-amino-2-cyclopropylethenol
PubChem CID140634221
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-2-amino-2-cyclopropylethenol
SMILESN/C(=C/O)C1CC1
InChIInChI=1S/C5H9NO/c6-5(3-7)4-1-2-4/h3-4,7H,1-2,6H2/b5-3+
InChIKeyZEJMMEHWMJBKHO-HWKANZROSA-N
XLogP0.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2-amino-2-cyclopropylethenol 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 (E)-2-amino-2-cyclopropylethenol?
The IUPAC name of (E)-2-amino-2-cyclopropylethenol (CID 140634221) is (E)-2-amino-2-cyclopropylethenol.
What is the SMILES notation for (E)-2-amino-2-cyclopropylethenol?
The canonical SMILES for (E)-2-amino-2-cyclopropylethenol is N/C(=C/O)C1CC1.
What is the InChIKey of (E)-2-amino-2-cyclopropylethenol?
The InChIKey is ZEJMMEHWMJBKHO-HWKANZROSA-N. The full InChI is InChI=1S/C5H9NO/c6-5(3-7)4-1-2-4/h3-4,7H,1-2,6H2/b5-3+.
What are the key properties of (E)-2-amino-2-cyclopropylethenol?
(E)-2-amino-2-cyclopropylethenol has a molecular weight of 99.13 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-2-cyclopropylethenol is sourced from PubChem (CID 140634221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).