2-methyl-2H-s-indacen-1-one

C13H10O — CID 178181500

IUPAC2-methyl-2H-s-indacen-1-one
SMILESCC1C=c2cc3c(cc2C1=O)=CC=C3
InChIInChI=1S/C13H10O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h2-8H,1H3
InChIKeyXPEQQWCMRNRFPO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.11
Rot. Bonds

About 2-methyl-2H-s-indacen-1-one

2-methyl-2H-s-indacen-1-one (PubChem CID 178181500) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-2H-s-indacen-1-one.

Molecular Properties

Compound Name2-methyl-2H-s-indacen-1-one
PubChem CID178181500
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name2-methyl-2H-s-indacen-1-one
SMILESCC1C=c2cc3c(cc2C1=O)=CC=C3
InChIInChI=1S/C13H10O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h2-8H,1H3
InChIKeyXPEQQWCMRNRFPO-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-diazo-2H-s-indacene
CID 87920765
cyclopenta[g]quinolin-2-one
CID 140801627
2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide
CID 57148224
2,6-dimethyl-2,6-dihydroanthracene
CID 58792602
1H-cyclopenta[f][2]benzotellurole
CID 173020564
1-benzylidene-2H-s-indacene
CID 175829334
4,10-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),4,9-trien-7-one
CID 70658584
hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 21087944
6-chloro-8-fluoro-3-methyl-3H-quinolin-4-one
CID 171373008
N-(1-dimethylsilyl-2-methylpropan-2-yl)-3-phenyl-s-indacen-1-amine
CID 172846629
2-methyl-4-methylsulfonyl-2H-naphthalen-1-one
CID 72540039
tetracene-1,6-dione
CID 87390098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-s-indacen-1-one?
The IUPAC name of 2-methyl-2H-s-indacen-1-one (CID 178181500) is 2-methyl-2H-s-indacen-1-one.
What is the SMILES notation for 2-methyl-2H-s-indacen-1-one?
The canonical SMILES for 2-methyl-2H-s-indacen-1-one is CC1C=c2cc3c(cc2C1=O)=CC=C3.
What is the InChIKey of 2-methyl-2H-s-indacen-1-one?
The InChIKey is XPEQQWCMRNRFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h2-8H,1H3.
What are the key properties of 2-methyl-2H-s-indacen-1-one?
2-methyl-2H-s-indacen-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-s-indacen-1-one is sourced from PubChem (CID 178181500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).