1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole

C15H17N — CID 88892345

IUPAC1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole
SMILESCC1=NC2=CCC3C=CC=CC3=C2C1(C)C
InChIInChI=1S/C15H17N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-7,9,11H,8H2,1-3H3
InChIKeyOKQJFRXIBTXGDE-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.81
Rot. Bonds

About 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole

1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole (PubChem CID 88892345) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole.

Molecular Properties

Compound Name1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole
PubChem CID88892345
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole
SMILESCC1=NC2=CCC3C=CC=CC3=C2C1(C)C
InChIInChI=1S/C15H17N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-7,9,11H,8H2,1-3H3
InChIKeyOKQJFRXIBTXGDE-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole?
The IUPAC name of 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole (CID 88892345) is 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole.
What is the SMILES notation for 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole?
The canonical SMILES for 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole is CC1=NC2=CCC3C=CC=CC3=C2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole?
The InChIKey is OKQJFRXIBTXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole?
1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole has a molecular weight of 211.31 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-5,5a-dihydrobenzo[e]indole is sourced from PubChem (CID 88892345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).