3-acetyl-2-methylcyclohepta[b]furan-8-one

C12H10O3 — CID 10921576

IUPAC3-acetyl-2-methylcyclohepta[b]furan-8-one
SMILESCC(=O)c1c(C)oc2c(=O)ccccc12
InChIInChI=1S/C12H10O3/c1-7(13)11-8(2)15-12-9(11)5-3-4-6-10(12)14/h3-6H,1-2H3
InChIKeyGDODGEGNVSJCCW-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.30
Rot. Bonds1

About 3-acetyl-2-methylcyclohepta[b]furan-8-one

3-acetyl-2-methylcyclohepta[b]furan-8-one (PubChem CID 10921576) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-acetyl-2-methylcyclohepta[b]furan-8-one.

Molecular Properties

Compound Name3-acetyl-2-methylcyclohepta[b]furan-8-one
PubChem CID10921576
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-acetyl-2-methylcyclohepta[b]furan-8-one
SMILESCC(=O)c1c(C)oc2c(=O)ccccc12
InChIInChI=1S/C12H10O3/c1-7(13)11-8(2)15-12-9(11)5-3-4-6-10(12)14/h3-6H,1-2H3
InChIKeyGDODGEGNVSJCCW-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methylcyclohepta[b]furan-8-one?
The IUPAC name of 3-acetyl-2-methylcyclohepta[b]furan-8-one (CID 10921576) is 3-acetyl-2-methylcyclohepta[b]furan-8-one.
What is the SMILES notation for 3-acetyl-2-methylcyclohepta[b]furan-8-one?
The canonical SMILES for 3-acetyl-2-methylcyclohepta[b]furan-8-one is CC(=O)c1c(C)oc2c(=O)ccccc12.
What is the InChIKey of 3-acetyl-2-methylcyclohepta[b]furan-8-one?
The InChIKey is GDODGEGNVSJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7(13)11-8(2)15-12-9(11)5-3-4-6-10(12)14/h3-6H,1-2H3.
What are the key properties of 3-acetyl-2-methylcyclohepta[b]furan-8-one?
3-acetyl-2-methylcyclohepta[b]furan-8-one has a molecular weight of 202.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methylcyclohepta[b]furan-8-one is sourced from PubChem (CID 10921576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).