7H-benzo[e]indole

C12H9N — CID 91000731

IUPAC7H-benzo[e]indole
SMILESC1=Cc2c3c(ccc2=CC1)=NC=C3
InChIInChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h2-8H,1H2
InChIKeyZKVQSJCGDFFVIL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.49
Rot. Bonds

About 7H-benzo[e]indole

7H-benzo[e]indole (PubChem CID 91000731) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 7H-benzo[e]indole.

Molecular Properties

Compound Name7H-benzo[e]indole
PubChem CID91000731
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name7H-benzo[e]indole
SMILESC1=Cc2c3c(ccc2=CC1)=NC=C3
InChIInChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h2-8H,1H2
InChIKeyZKVQSJCGDFFVIL-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[e]indole?
The IUPAC name of 7H-benzo[e]indole (CID 91000731) is 7H-benzo[e]indole.
What is the SMILES notation for 7H-benzo[e]indole?
The canonical SMILES for 7H-benzo[e]indole is C1=Cc2c3c(ccc2=CC1)=NC=C3.
What is the InChIKey of 7H-benzo[e]indole?
The InChIKey is ZKVQSJCGDFFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h2-8H,1H2.
What are the key properties of 7H-benzo[e]indole?
7H-benzo[e]indole has a molecular weight of 167.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[e]indole is sourced from PubChem (CID 91000731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).