3-methyl-7,8-dihydro-6H-chromene-2,5-dione

C10H10O3 — CID 15924243

IUPAC3-methyl-7,8-dihydro-6H-chromene-2,5-dione
SMILESCc1cc2c(oc1=O)CCCC2=O
InChIInChI=1S/C10H10O3/c1-6-5-7-8(11)3-2-4-9(7)13-10(6)12/h5H,2-4H2,1H3
InChIKeyXJRXBBIUBFWAMA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.47
Rot. Bonds

About 3-methyl-7,8-dihydro-6H-chromene-2,5-dione

3-methyl-7,8-dihydro-6H-chromene-2,5-dione (PubChem CID 15924243) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-methyl-7,8-dihydro-6H-chromene-2,5-dione.

Molecular Properties

Compound Name3-methyl-7,8-dihydro-6H-chromene-2,5-dione
PubChem CID15924243
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-methyl-7,8-dihydro-6H-chromene-2,5-dione
SMILESCc1cc2c(oc1=O)CCCC2=O
InChIInChI=1S/C10H10O3/c1-6-5-7-8(11)3-2-4-9(7)13-10(6)12/h5H,2-4H2,1H3
InChIKeyXJRXBBIUBFWAMA-UHFFFAOYSA-N
XLogP1.47
TPSA47.28 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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8-dihydro-6H-chromene-2,5-dione?
The IUPAC name of 3-methyl-7,8-dihydro-6H-chromene-2,5-dione (CID 15924243) is 3-methyl-7,8-dihydro-6H-chromene-2,5-dione.
What is the SMILES notation for 3-methyl-7,8-dihydro-6H-chromene-2,5-dione?
The canonical SMILES for 3-methyl-7,8-dihydro-6H-chromene-2,5-dione is Cc1cc2c(oc1=O)CCCC2=O.
What is the InChIKey of 3-methyl-7,8-dihydro-6H-chromene-2,5-dione?
The InChIKey is XJRXBBIUBFWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-5-7-8(11)3-2-4-9(7)13-10(6)12/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-7,8-dihydro-6H-chromene-2,5-dione?
3-methyl-7,8-dihydro-6H-chromene-2,5-dione has a molecular weight of 178.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8-dihydro-6H-chromene-2,5-dione is sourced from PubChem (CID 15924243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).