1,1-dimethylbenzo[e]indole

C14H13N — CID 22413174

IUPAC1,1-dimethylbenzo[e]indole
SMILESCC1(C)C=Nc2ccc3ccccc3c21
InChIInChI=1S/C14H13N/c1-14(2)9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-9H,1-2H3
InChIKeyNTERFJDUONWZNE-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.83
Rot. Bonds

About 1,1-dimethylbenzo[e]indole

1,1-dimethylbenzo[e]indole (PubChem CID 22413174) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 1,1-dimethylbenzo[e]indole.

Molecular Properties

Compound Name1,1-dimethylbenzo[e]indole
PubChem CID22413174
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name1,1-dimethylbenzo[e]indole
SMILESCC1(C)C=Nc2ccc3ccccc3c21
InChIInChI=1S/C14H13N/c1-14(2)9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-9H,1-2H3
InChIKeyNTERFJDUONWZNE-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylbenzo[e]indole?
The IUPAC name of 1,1-dimethylbenzo[e]indole (CID 22413174) is 1,1-dimethylbenzo[e]indole.
What is the SMILES notation for 1,1-dimethylbenzo[e]indole?
The canonical SMILES for 1,1-dimethylbenzo[e]indole is CC1(C)C=Nc2ccc3ccccc3c21.
What is the InChIKey of 1,1-dimethylbenzo[e]indole?
The InChIKey is NTERFJDUONWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-14(2)9-15-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-9H,1-2H3.
What are the key properties of 1,1-dimethylbenzo[e]indole?
1,1-dimethylbenzo[e]indole has a molecular weight of 195.27 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylbenzo[e]indole is sourced from PubChem (CID 22413174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).