3aH-benzo[g]indole

C12H9N — CID 70367392

IUPAC3aH-benzo[g]indole
SMILESC1=CC2C=Cc3ccccc3C2=N1
InChIInChI=1S/C12H9N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8,10H
InChIKeyFCEIBHCJMIPXTL-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.65
Rot. Bonds

About 3aH-benzo[g]indole

3aH-benzo[g]indole (PubChem CID 70367392) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 3aH-benzo[g]indole.

Molecular Properties

Compound Name3aH-benzo[g]indole
PubChem CID70367392
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name3aH-benzo[g]indole
SMILESC1=CC2C=Cc3ccccc3C2=N1
InChIInChI=1S/C12H9N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8,10H
InChIKeyFCEIBHCJMIPXTL-UHFFFAOYSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3aH-benzo[g]indole?
The IUPAC name of 3aH-benzo[g]indole (CID 70367392) is 3aH-benzo[g]indole.
What is the SMILES notation for 3aH-benzo[g]indole?
The canonical SMILES for 3aH-benzo[g]indole is C1=CC2C=Cc3ccccc3C2=N1.
What is the InChIKey of 3aH-benzo[g]indole?
The InChIKey is FCEIBHCJMIPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8,10H.
What are the key properties of 3aH-benzo[g]indole?
3aH-benzo[g]indole has a molecular weight of 167.21 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-benzo[g]indole is sourced from PubChem (CID 70367392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).