7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one

C8H10O2 — CID 135083222

IUPAC7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESO=C1CCCC2=C1CC2O
InChIInChI=1S/C8H10O2/c9-7-3-1-2-5-6(7)4-8(5)10/h8,10H,1-4H2
InChIKeySAQPEUACGKDKDM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.80
Rot. Bonds

About 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one

7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one (PubChem CID 135083222) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one.

Molecular Properties

Compound Name7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one
PubChem CID135083222
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESO=C1CCCC2=C1CC2O
InChIInChI=1S/C8H10O2/c9-7-3-1-2-5-6(7)4-8(5)10/h8,10H,1-4H2
InChIKeySAQPEUACGKDKDM-UHFFFAOYSA-N
XLogP0.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexene, 1-acetyl-2-(1-hydroxyethyl)-
CID 539345
3-(1-Hydroxyheptyl)-4-pentylcyclobut-3-ene-1,2-dione
CID 10978408
7,7-Dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135082931
7-Methoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083330
4-Hydroxy-2-methyl-3-propanoylcyclohex-2-en-1-one
CID 11008561
3-(1-Hydroxyhexyl)-4-pentylcyclobut-3-ene-1,2-dione
CID 15440098
3-(1-Hydroxyundecyl)-2-methylcyclohex-2-en-1-one
CID 17898948
1-[(5S)-2-ethyl-5-hydroxycyclohexen-1-yl]ethanone
CID 117753509
6-Hydroxy-2,3,4,5,6,7-hexahydroinden-1-one
CID 163489847
1-[2-(1-Hydroxyethyl)cyclopenten-1-yl]ethanone
CID 163608586
1-[2-(Hydroxymethyl)cyclohexen-1-yl]ethanone
CID 168967448
4-Hydroxy-2,3-dimethylcyclohex-2-en-1-one
CID 172777629

Frequently Asked Questions

What is the IUPAC name of 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The IUPAC name of 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one (CID 135083222) is 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one.
What is the SMILES notation for 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The canonical SMILES for 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one is O=C1CCCC2=C1CC2O.
What is the InChIKey of 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The InChIKey is SAQPEUACGKDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-3-1-2-5-6(7)4-8(5)10/h8,10H,1-4H2.
What are the key properties of 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxybicyclo[4.2.0]oct-1(6)-en-2-one is sourced from PubChem (CID 135083222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).