1H-azirino[1,2-a]indole;1-chloropentane

C14H18ClN — CID 174960143

IUPAC1H-azirino[1,2-a]indole;1-chloropentane
SMILESCCCCCCl.c1ccc2c(c1)cc1n2C1
InChIInChI=1S/C9H7N.C5H11Cl/c1-2-4-9-7(3-1)5-8-6-10(8)9;1-2-3-4-5-6/h1-5H,6H2;2-5H2,1H3
InChIKeyULPQXXYSIXPVKB-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.42
Rot. Bonds3

About 1H-azirino[1,2-a]indole;1-chloropentane

1H-azirino[1,2-a]indole;1-chloropentane (PubChem CID 174960143) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1H-azirino[1,2-a]indole;1-chloropentane.

Molecular Properties

Compound Name1H-azirino[1,2-a]indole;1-chloropentane
PubChem CID174960143
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1H-azirino[1,2-a]indole;1-chloropentane
SMILESCCCCCCl.c1ccc2c(c1)cc1n2C1
InChIInChI=1S/C9H7N.C5H11Cl/c1-2-4-9-7(3-1)5-8-6-10(8)9;1-2-3-4-5-6/h1-5H,6H2;2-5H2,1H3
InChIKeyULPQXXYSIXPVKB-UHFFFAOYSA-N
XLogP4.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-azirino[1,2-a]indole;1-chloropentane?
The IUPAC name of 1H-azirino[1,2-a]indole;1-chloropentane (CID 174960143) is 1H-azirino[1,2-a]indole;1-chloropentane.
What is the SMILES notation for 1H-azirino[1,2-a]indole;1-chloropentane?
The canonical SMILES for 1H-azirino[1,2-a]indole;1-chloropentane is CCCCCCl.c1ccc2c(c1)cc1n2C1.
What is the InChIKey of 1H-azirino[1,2-a]indole;1-chloropentane?
The InChIKey is ULPQXXYSIXPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H11Cl/c1-2-4-9-7(3-1)5-8-6-10(8)9;1-2-3-4-5-6/h1-5H,6H2;2-5H2,1H3.
What are the key properties of 1H-azirino[1,2-a]indole;1-chloropentane?
1H-azirino[1,2-a]indole;1-chloropentane has a molecular weight of 235.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azirino[1,2-a]indole;1-chloropentane is sourced from PubChem (CID 174960143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).