4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione

C10H10O3 — CID 123170756

IUPAC4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione
SMILESCC1=CC(=O)OC2CC(=O)C=CC12
InChIInChI=1S/C10H10O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-4,8-9H,5H2,1H3
InChIKeyYCBJBABVSLTGEN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds

About 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione

4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione (PubChem CID 123170756) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione.

Molecular Properties

Compound Name4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione
PubChem CID123170756
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione
SMILESCC1=CC(=O)OC2CC(=O)C=CC12
InChIInChI=1S/C10H10O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-4,8-9H,5H2,1H3
InChIKeyYCBJBABVSLTGEN-UHFFFAOYSA-N
XLogP1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione?
The IUPAC name of 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione (CID 123170756) is 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione.
What is the SMILES notation for 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione?
The canonical SMILES for 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione is CC1=CC(=O)OC2CC(=O)C=CC12.
What is the InChIKey of 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione?
The InChIKey is YCBJBABVSLTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-4,8-9H,5H2,1H3.
What are the key properties of 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione?
4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione has a molecular weight of 178.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8,8a-dihydro-4aH-chromene-2,7-dione is sourced from PubChem (CID 123170756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).