2-methyl-8H-cyclohepta[b]furan

C10H10O — CID 154672725

IUPAC2-methyl-8H-cyclohepta[b]furan
SMILESCc1cc2c(o1)CC=CC=C2
InChIInChI=1S/C10H10O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2-5,7H,6H2,1H3
InChIKeyVGGBNZKDKHYIHU-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.71
Rot. Bonds

About 2-methyl-8H-cyclohepta[b]furan

2-methyl-8H-cyclohepta[b]furan (PubChem CID 154672725) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-8H-cyclohepta[b]furan.

Molecular Properties

Compound Name2-methyl-8H-cyclohepta[b]furan
PubChem CID154672725
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name2-methyl-8H-cyclohepta[b]furan
SMILESCc1cc2c(o1)CC=CC=C2
InChIInChI=1S/C10H10O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2-5,7H,6H2,1H3
InChIKeyVGGBNZKDKHYIHU-UHFFFAOYSA-N
XLogP2.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8H-cyclohepta[b]furan?
The IUPAC name of 2-methyl-8H-cyclohepta[b]furan (CID 154672725) is 2-methyl-8H-cyclohepta[b]furan.
What is the SMILES notation for 2-methyl-8H-cyclohepta[b]furan?
The canonical SMILES for 2-methyl-8H-cyclohepta[b]furan is Cc1cc2c(o1)CC=CC=C2.
What is the InChIKey of 2-methyl-8H-cyclohepta[b]furan?
The InChIKey is VGGBNZKDKHYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-8H-cyclohepta[b]furan?
2-methyl-8H-cyclohepta[b]furan has a molecular weight of 146.19 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8H-cyclohepta[b]furan is sourced from PubChem (CID 154672725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).