4-methyl-3H-indene-1,2-dione

C10H8O2 — CID 561993

IUPAC4-methyl-3H-indene-1,2-dione
SMILESCc1cccc2c1CC(=O)C2=O
InChIInChI=1S/C10H8O2/c1-6-3-2-4-7-8(6)5-9(11)10(7)12/h2-4H,5H2,1H3
InChIKeyCGBWEXSVCNOPCK-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.30
Rot. Bonds

About 4-methyl-3H-indene-1,2-dione

4-methyl-3H-indene-1,2-dione (PubChem CID 561993) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-methyl-3H-indene-1,2-dione.

Molecular Properties

Compound Name4-methyl-3H-indene-1,2-dione
PubChem CID561993
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name4-methyl-3H-indene-1,2-dione
SMILESCc1cccc2c1CC(=O)C2=O
InChIInChI=1S/C10H8O2/c1-6-3-2-4-7-8(6)5-9(11)10(7)12/h2-4H,5H2,1H3
InChIKeyCGBWEXSVCNOPCK-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-4-methyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)-3H-inden-1-one
CID 3004066
4,8-dimethyl-1H-naphthalen-2-one
CID 158508718
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
8,16-dimethoxy-24,32-dimethyl-2,10,18-triazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(32),4(9),5,7,12(17),13,15,20,22,24,28,30-dodecaene-3,11,19,27-tetrone;ethane
CID 123569148
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
3-methoxy-2,7-dimethyl-1H-indene
CID 23625905
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 175736121
7-methylnaphthalene-1,2,4-trione
CID 54358418
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
(2E)-2-[(2-chloro-8-methylquinolin-3-yl)methylidene]-4-methyl-3H-inden-1-one
CID 11500922
3-(4-bromophenyl)-5-methyl-4H-isoquinolin-1-one
CID 90202998
4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane
CID 90736626

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-indene-1,2-dione?
The IUPAC name of 4-methyl-3H-indene-1,2-dione (CID 561993) is 4-methyl-3H-indene-1,2-dione.
What is the SMILES notation for 4-methyl-3H-indene-1,2-dione?
The canonical SMILES for 4-methyl-3H-indene-1,2-dione is Cc1cccc2c1CC(=O)C2=O.
What is the InChIKey of 4-methyl-3H-indene-1,2-dione?
The InChIKey is CGBWEXSVCNOPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-6-3-2-4-7-8(6)5-9(11)10(7)12/h2-4H,5H2,1H3.
What are the key properties of 4-methyl-3H-indene-1,2-dione?
4-methyl-3H-indene-1,2-dione has a molecular weight of 160.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-indene-1,2-dione is sourced from PubChem (CID 561993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).