1,1,2-trimethylbenzo[e]indole;hydrochloride

C15H16ClN — CID 56842992

IUPAC1,1,2-trimethylbenzo[e]indole;hydrochloride
SMILESCC1=Nc2ccc3ccccc3c2C1(C)C.Cl
InChIInChI=1S/C15H15N.ClH/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10;/h4-9H,1-3H3;1H
InChIKeyNGHQGZJJHLNAPU-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.65
Rot. Bonds

About 1,1,2-trimethylbenzo[e]indole;hydrochloride

1,1,2-trimethylbenzo[e]indole;hydrochloride (PubChem CID 56842992) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1,1,2-trimethylbenzo[e]indole;hydrochloride.

Molecular Properties

Compound Name1,1,2-trimethylbenzo[e]indole;hydrochloride
PubChem CID56842992
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1,1,2-trimethylbenzo[e]indole;hydrochloride
SMILESCC1=Nc2ccc3ccccc3c2C1(C)C.Cl
InChIInChI=1S/C15H15N.ClH/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10;/h4-9H,1-3H3;1H
InChIKeyNGHQGZJJHLNAPU-UHFFFAOYSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylbenzo[e]indole;hydrochloride?
The IUPAC name of 1,1,2-trimethylbenzo[e]indole;hydrochloride (CID 56842992) is 1,1,2-trimethylbenzo[e]indole;hydrochloride.
What is the SMILES notation for 1,1,2-trimethylbenzo[e]indole;hydrochloride?
The canonical SMILES for 1,1,2-trimethylbenzo[e]indole;hydrochloride is CC1=Nc2ccc3ccccc3c2C1(C)C.Cl.
What is the InChIKey of 1,1,2-trimethylbenzo[e]indole;hydrochloride?
The InChIKey is NGHQGZJJHLNAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.ClH/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10;/h4-9H,1-3H3;1H.
What are the key properties of 1,1,2-trimethylbenzo[e]indole;hydrochloride?
1,1,2-trimethylbenzo[e]indole;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylbenzo[e]indole;hydrochloride is sourced from PubChem (CID 56842992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).