1H-azirino[2,3-a]indolizine

C8H6N2 — CID 45087425

IUPAC1H-azirino[2,3-a]indolizine
SMILESc1ccn2cc3c(c2c1)N3
InChIInChI=1S/C8H6N2/c1-2-4-10-5-6-8(9-6)7(10)3-1/h1-5,9H
InChIKeyAIKMRTXZNROLLS-UHFFFAOYSA-N
MW130.15 g/mol
LogP2.00
Rot. Bonds

About 1H-azirino[2,3-a]indolizine

1H-azirino[2,3-a]indolizine (PubChem CID 45087425) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1H-azirino[2,3-a]indolizine.

Molecular Properties

Compound Name1H-azirino[2,3-a]indolizine
PubChem CID45087425
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name1H-azirino[2,3-a]indolizine
SMILESc1ccn2cc3c(c2c1)N3
InChIInChI=1S/C8H6N2/c1-2-4-10-5-6-8(9-6)7(10)3-1/h1-5,9H
InChIKeyAIKMRTXZNROLLS-UHFFFAOYSA-N
XLogP2.00
TPSA26.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-azirino[2,3-a]indolizine?
The IUPAC name of 1H-azirino[2,3-a]indolizine (CID 45087425) is 1H-azirino[2,3-a]indolizine.
What is the SMILES notation for 1H-azirino[2,3-a]indolizine?
The canonical SMILES for 1H-azirino[2,3-a]indolizine is c1ccn2cc3c(c2c1)N3.
What is the InChIKey of 1H-azirino[2,3-a]indolizine?
The InChIKey is AIKMRTXZNROLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-10-5-6-8(9-6)7(10)3-1/h1-5,9H.
What are the key properties of 1H-azirino[2,3-a]indolizine?
1H-azirino[2,3-a]indolizine has a molecular weight of 130.15 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azirino[2,3-a]indolizine is sourced from PubChem (CID 45087425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).