cyclopent-3-ene-1,2-diol

C5H8O2 — CID 557495

IUPACcyclopent-3-ene-1,2-diol
SMILESOC1C=CCC1O
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h1-2,4-7H,3H2
InChIKeyVQWAZBMRMSMLPG-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.33
Rot. Bonds

About cyclopent-3-ene-1,2-diol

cyclopent-3-ene-1,2-diol (PubChem CID 557495) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Namecyclopent-3-ene-1,2-diol
PubChem CID557495
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namecyclopent-3-ene-1,2-diol
SMILESOC1C=CCC1O
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h1-2,4-7H,3H2
InChIKeyVQWAZBMRMSMLPG-UHFFFAOYSA-N
XLogP-0.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
2-Cyclopentene-1-ol
CID 220164
Cis-1,2-dihydrocatechol
CID 176951
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
3,5-Cyclohexadiene-1,2-diol, 3-methyl-, cis-
CID 440399
4-Cyclopentene-1,3-diol
CID 278600
2-Hepten-4-ol
CID 5366235
Conduritol A
CID 10290861
Conduritol B
CID 11029971
cis-4-Cyclopentene-1,3-Diol
CID 10148988
(1S,2S)-cyclohexa-3,5-diene-1,2-diol
CID 152287
(1R,2R)-cyclohex-4-ene-1,2-diol
CID 11274988

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-ene-1,2-diol?
The IUPAC name of cyclopent-3-ene-1,2-diol (CID 557495) is cyclopent-3-ene-1,2-diol.
What is the SMILES notation for cyclopent-3-ene-1,2-diol?
The canonical SMILES for cyclopent-3-ene-1,2-diol is OC1C=CCC1O.
What is the InChIKey of cyclopent-3-ene-1,2-diol?
The InChIKey is VQWAZBMRMSMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h1-2,4-7H,3H2.
What are the key properties of cyclopent-3-ene-1,2-diol?
cyclopent-3-ene-1,2-diol has a molecular weight of 100.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 557495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).