1-propan-2-ylazirine

C5H9N — CID 139679169

IUPAC1-propan-2-ylazirine
SMILESCC(C)N1C=C1
InChIInChI=1S/C5H9N/c1-5(2)6-3-4-6/h3-5H,1-2H3
InChIKeyWPXKLXKKDIFQET-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.18
Rot. Bonds1

About 1-propan-2-ylazirine

1-propan-2-ylazirine (PubChem CID 139679169) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1-propan-2-ylazirine.

Molecular Properties

Compound Name1-propan-2-ylazirine
PubChem CID139679169
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1-propan-2-ylazirine
SMILESCC(C)N1C=C1
InChIInChI=1S/C5H9N/c1-5(2)6-3-4-6/h3-5H,1-2H3
InChIKeyWPXKLXKKDIFQET-UHFFFAOYSA-N
XLogP1.18
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-ylazirine 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-propan-2-ylazirine?
The IUPAC name of 1-propan-2-ylazirine (CID 139679169) is 1-propan-2-ylazirine.
What is the SMILES notation for 1-propan-2-ylazirine?
The canonical SMILES for 1-propan-2-ylazirine is CC(C)N1C=C1.
What is the InChIKey of 1-propan-2-ylazirine?
The InChIKey is WPXKLXKKDIFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5(2)6-3-4-6/h3-5H,1-2H3.
What are the key properties of 1-propan-2-ylazirine?
1-propan-2-ylazirine has a molecular weight of 83.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazirine is sourced from PubChem (CID 139679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).