2-ethyl-1-hydroxyaziridine

C4H9NO — CID 21316390

IUPAC2-ethyl-1-hydroxyaziridine
SMILESCCC1CN1O
InChIInChI=1S/C4H9NO/c1-2-4-3-5(4)6/h4,6H,2-3H2,1H3
InChIKeyPFQFAGXIGFCJTL-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.47
Rot. Bonds1

About 2-ethyl-1-hydroxyaziridine

2-ethyl-1-hydroxyaziridine (PubChem CID 21316390) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-ethyl-1-hydroxyaziridine.

Molecular Properties

Compound Name2-ethyl-1-hydroxyaziridine
PubChem CID21316390
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-ethyl-1-hydroxyaziridine
SMILESCCC1CN1O
InChIInChI=1S/C4H9NO/c1-2-4-3-5(4)6/h4,6H,2-3H2,1H3
InChIKeyPFQFAGXIGFCJTL-UHFFFAOYSA-N
XLogP0.47
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-ethyl-1-hydroxyaziridine 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-ethyl-1-hydroxyaziridine?
The IUPAC name of 2-ethyl-1-hydroxyaziridine (CID 21316390) is 2-ethyl-1-hydroxyaziridine.
What is the SMILES notation for 2-ethyl-1-hydroxyaziridine?
The canonical SMILES for 2-ethyl-1-hydroxyaziridine is CCC1CN1O.
What is the InChIKey of 2-ethyl-1-hydroxyaziridine?
The InChIKey is PFQFAGXIGFCJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-4-3-5(4)6/h4,6H,2-3H2,1H3.
What are the key properties of 2-ethyl-1-hydroxyaziridine?
2-ethyl-1-hydroxyaziridine has a molecular weight of 87.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxyaziridine is sourced from PubChem (CID 21316390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).