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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Related Compounds

2,3,4,5,6,7-Hexahydro-1-benzofuran-4-one
CID 15618900
4(2H)-Benzofuranone, 3,5,6,7-tetrahydro-2-(iodomethyl)-
CID 12028093
3,5,6,7-Tetrahydro-1-benzofuran-2,4-dione
CID 12428032
3-Methyl-3,5,6,7-tetrahydro-1-benzofuran-4(2h)-one
CID 129712660
2-butyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 132536555
3-methylidene-6,7-dihydro-5H-1-benzofuran-4-one
CID 11040864
2,3:5,6-Bis(trimethylene)pyran-4-one
CID 12301532
3-Methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
CID 14399520
Syagbzzcaqtorm-uhfffaoysa-
CID 21636438
2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 14950473
5-Methoxy-2,3,4,7-tetrahydroinden-1-one
CID 21849980
2-Methoxy-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
CID 142730228

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).