3-methyl-1,4-dihydrobenzo[f]indol-2-one

C13H11NO — CID 141000317

IUPAC3-methyl-1,4-dihydrobenzo[f]indol-2-one
SMILESCC1=C2Cc3ccccc3C=C2NC1=O
InChIInChI=1S/C13H11NO/c1-8-11-6-9-4-2-3-5-10(9)7-12(11)14-13(8)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyXEJKDTXVIRKULV-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.03
Rot. Bonds

About 3-methyl-1,4-dihydrobenzo[f]indol-2-one

3-methyl-1,4-dihydrobenzo[f]indol-2-one (PubChem CID 141000317) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methyl-1,4-dihydrobenzo[f]indol-2-one.

Molecular Properties

Compound Name3-methyl-1,4-dihydrobenzo[f]indol-2-one
PubChem CID141000317
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-methyl-1,4-dihydrobenzo[f]indol-2-one
SMILESCC1=C2Cc3ccccc3C=C2NC1=O
InChIInChI=1S/C13H11NO/c1-8-11-6-9-4-2-3-5-10(9)7-12(11)14-13(8)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyXEJKDTXVIRKULV-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-acetyl-1H-naphthalen-2-one
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CID 11041997
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydrobenzo[f]indol-2-one?
The IUPAC name of 3-methyl-1,4-dihydrobenzo[f]indol-2-one (CID 141000317) is 3-methyl-1,4-dihydrobenzo[f]indol-2-one.
What is the SMILES notation for 3-methyl-1,4-dihydrobenzo[f]indol-2-one?
The canonical SMILES for 3-methyl-1,4-dihydrobenzo[f]indol-2-one is CC1=C2Cc3ccccc3C=C2NC1=O.
What is the InChIKey of 3-methyl-1,4-dihydrobenzo[f]indol-2-one?
The InChIKey is XEJKDTXVIRKULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-8-11-6-9-4-2-3-5-10(9)7-12(11)14-13(8)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1,4-dihydrobenzo[f]indol-2-one?
3-methyl-1,4-dihydrobenzo[f]indol-2-one has a molecular weight of 197.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydrobenzo[f]indol-2-one is sourced from PubChem (CID 141000317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).