2-methyl-2,3-dihydrocyclohepta[b]furan-8-one

C10H10O2 — CID 12581929

IUPAC2-methyl-2,3-dihydrocyclohepta[b]furan-8-one
SMILESCC1Cc2ccccc(=O)c2O1
InChIInChI=1S/C10H10O2/c1-7-6-8-4-2-3-5-9(11)10(8)12-7/h2-5,7H,6H2,1H3
InChIKeyIKVWFCBSNJVHMN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.37
Rot. Bonds

About 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one

2-methyl-2,3-dihydrocyclohepta[b]furan-8-one (PubChem CID 12581929) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one.

Molecular Properties

Compound Name2-methyl-2,3-dihydrocyclohepta[b]furan-8-one
PubChem CID12581929
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-methyl-2,3-dihydrocyclohepta[b]furan-8-one
SMILESCC1Cc2ccccc(=O)c2O1
InChIInChI=1S/C10H10O2/c1-7-6-8-4-2-3-5-9(11)10(8)12-7/h2-5,7H,6H2,1H3
InChIKeyIKVWFCBSNJVHMN-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one?
The IUPAC name of 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one (CID 12581929) is 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one.
What is the SMILES notation for 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one?
The canonical SMILES for 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one is CC1Cc2ccccc(=O)c2O1.
What is the InChIKey of 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one?
The InChIKey is IKVWFCBSNJVHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-6-8-4-2-3-5-9(11)10(8)12-7/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one?
2-methyl-2,3-dihydrocyclohepta[b]furan-8-one has a molecular weight of 162.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydrocyclohepta[b]furan-8-one is sourced from PubChem (CID 12581929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).