8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one

C14H15NO2 — CID 10799427

IUPAC8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
SMILESCOc1ccc2c(c1)C1=CC(=O)N(C)C1CC2
InChIInChI=1S/C14H15NO2/c1-15-13-6-4-9-3-5-10(17-2)7-11(9)12(13)8-14(15)16/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyGDCBHOGABDEINV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds1

About 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one

8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one (PubChem CID 10799427) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one.

Molecular Properties

Compound Name8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
PubChem CID10799427
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
SMILESCOc1ccc2c(c1)C1=CC(=O)N(C)C1CC2
InChIInChI=1S/C14H15NO2/c1-15-13-6-4-9-3-5-10(17-2)7-11(9)12(13)8-14(15)16/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyGDCBHOGABDEINV-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11266614
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 84628075
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one?
The IUPAC name of 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one (CID 10799427) is 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one.
What is the SMILES notation for 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one?
The canonical SMILES for 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one is COc1ccc2c(c1)C1=CC(=O)N(C)C1CC2.
What is the InChIKey of 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one?
The InChIKey is GDCBHOGABDEINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-13-6-4-9-3-5-10(17-2)7-11(9)12(13)8-14(15)16/h3,5,7-8,13H,4,6H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one?
8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one is sourced from PubChem (CID 10799427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).