3,4a,5-trimethyl-4H-benzo[f]indol-2-one

C15H15NO — CID 141000322

IUPAC3,4a,5-trimethyl-4H-benzo[f]indol-2-one
SMILESCC1=CC=CC2=CC3=NC(=O)C(C)=C3CC12C
InChIInChI=1S/C15H15NO/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(17)16-13/h4-7H,8H2,1-3H3
InChIKeyRMTQTSJSWINCGV-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.14
Rot. Bonds

About 3,4a,5-trimethyl-4H-benzo[f]indol-2-one

3,4a,5-trimethyl-4H-benzo[f]indol-2-one (PubChem CID 141000322) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,4a,5-trimethyl-4H-benzo[f]indol-2-one.

Molecular Properties

Compound Name3,4a,5-trimethyl-4H-benzo[f]indol-2-one
PubChem CID141000322
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3,4a,5-trimethyl-4H-benzo[f]indol-2-one
SMILESCC1=CC=CC2=CC3=NC(=O)C(C)=C3CC12C
InChIInChI=1S/C15H15NO/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(17)16-13/h4-7H,8H2,1-3H3
InChIKeyRMTQTSJSWINCGV-UHFFFAOYSA-N
XLogP3.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4a,5-trimethyl-4H-benzo[f]indol-2-one?
The IUPAC name of 3,4a,5-trimethyl-4H-benzo[f]indol-2-one (CID 141000322) is 3,4a,5-trimethyl-4H-benzo[f]indol-2-one.
What is the SMILES notation for 3,4a,5-trimethyl-4H-benzo[f]indol-2-one?
The canonical SMILES for 3,4a,5-trimethyl-4H-benzo[f]indol-2-one is CC1=CC=CC2=CC3=NC(=O)C(C)=C3CC12C.
What is the InChIKey of 3,4a,5-trimethyl-4H-benzo[f]indol-2-one?
The InChIKey is RMTQTSJSWINCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(17)16-13/h4-7H,8H2,1-3H3.
What are the key properties of 3,4a,5-trimethyl-4H-benzo[f]indol-2-one?
3,4a,5-trimethyl-4H-benzo[f]indol-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5-trimethyl-4H-benzo[f]indol-2-one is sourced from PubChem (CID 141000322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).