5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one

C8H10O2 — CID 11789269

IUPAC5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
SMILESO=C1C=C2CCCCC2O1
InChIInChI=1S/C8H10O2/c9-8-5-6-3-1-2-4-7(6)10-8/h5,7H,1-4H2
InChIKeyYQFNHECEHPJPRC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.41
Rot. Bonds

About 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one

5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one (PubChem CID 11789269) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
PubChem CID11789269
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
SMILESO=C1C=C2CCCCC2O1
InChIInChI=1S/C8H10O2/c9-8-5-6-3-1-2-4-7(6)10-8/h5,7H,1-4H2
InChIKeyYQFNHECEHPJPRC-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
(+)-sarcophytoxin B
CID 14705435
(6R,7aS)-6-hydroxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
CID 11423705
(6R,7aR)-6-hydroxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
CID 102386464
3-methyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one
CID 11040885
2-Methyl-cyclohex-2-en-1-yl acetate
CID 12635158
2(5H)-Furanone, 4-methyl-5-(2-methyl-2-propenyl)-
CID 566082
2H-Pyran-2-one, 5,6-dihydro-4-(2,3-dimethyl-2-buten-1-yl)-
CID 535261
[(1S)-2-methylcyclohex-2-en-1-yl] acetate
CID 5325693
methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
CID 134894315
Ethyl 2-(4,4-dimethoxycyclohexylidene)acetate
CID 11009711
2(5H)-Furanone, 4-butyl-
CID 11480490

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one?
The IUPAC name of 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one (CID 11789269) is 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one.
What is the SMILES notation for 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one?
The canonical SMILES for 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one is O=C1C=C2CCCCC2O1.
What is the InChIKey of 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one?
The InChIKey is YQFNHECEHPJPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-5-6-3-1-2-4-7(6)10-8/h5,7H,1-4H2.
What are the key properties of 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one?
5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one is sourced from PubChem (CID 11789269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).