2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one

C9H10O2 — CID 10796915

IUPAC2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one
SMILESC=C1CC2=C(CCCC2=O)O1
InChIInChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h1-5H2
InChIKeyNDCVAZWADYVSGZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.93
Rot. Bonds

About 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one

2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one (PubChem CID 10796915) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one
PubChem CID10796915
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one
SMILESC=C1CC2=C(CCCC2=O)O1
InChIInChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h1-5H2
InChIKeyNDCVAZWADYVSGZ-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one?
The IUPAC name of 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one (CID 10796915) is 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one.
What is the SMILES notation for 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one?
The canonical SMILES for 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one is C=C1CC2=C(CCCC2=O)O1.
What is the InChIKey of 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one?
The InChIKey is NDCVAZWADYVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h1-5H2.
What are the key properties of 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one?
2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,5,6,7-tetrahydro-1-benzofuran-4-one is sourced from PubChem (CID 10796915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).