1,2,2-trimethyl-1,3-dihydrobenzo[e]indole

C15H17N — CID 66825779

IUPAC1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
SMILESCC1c2c(ccc3ccccc23)NC1(C)C
InChIInChI=1S/C15H17N/c1-10-14-12-7-5-4-6-11(12)8-9-13(14)16-15(10,2)3/h4-10,16H,1-3H3
InChIKeyRPTZWXCJCUEPPA-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.15
Rot. Bonds

About 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole

1,2,2-trimethyl-1,3-dihydrobenzo[e]indole (PubChem CID 66825779) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole.

Molecular Properties

Compound Name1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
PubChem CID66825779
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
SMILESCC1c2c(ccc3ccccc23)NC1(C)C
InChIInChI=1S/C15H17N/c1-10-14-12-7-5-4-6-11(12)8-9-13(14)16-15(10,2)3/h4-10,16H,1-3H3
InChIKeyRPTZWXCJCUEPPA-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole?
The IUPAC name of 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole (CID 66825779) is 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole.
What is the SMILES notation for 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole?
The canonical SMILES for 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole is CC1c2c(ccc3ccccc23)NC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole?
The InChIKey is RPTZWXCJCUEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-10-14-12-7-5-4-6-11(12)8-9-13(14)16-15(10,2)3/h4-10,16H,1-3H3.
What are the key properties of 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole?
1,2,2-trimethyl-1,3-dihydrobenzo[e]indole has a molecular weight of 211.31 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-1,3-dihydrobenzo[e]indole is sourced from PubChem (CID 66825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).