cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane

C12H22O2 — CID 159205926

IUPACcyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane
SMILESC.C.O=C1C=CCC1.OC1C=CCC1
InChIInChI=1S/C5H8O.C5H6O.2CH4/c2*6-5-3-1-2-4-5;;/h1,3,5-6H,2,4H2;1,3H,2,4H2;2*1H4
InChIKeyKPWPNIOHBYBIIA-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.88
Rot. Bonds

About cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane

cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane (PubChem CID 159205926) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane.

Molecular Properties

Compound Namecyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane
PubChem CID159205926
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane
SMILESC.C.O=C1C=CCC1.OC1C=CCC1
InChIInChI=1S/C5H8O.C5H6O.2CH4/c2*6-5-3-1-2-4-5;;/h1,3,5-6H,2,4H2;1,3H,2,4H2;2*1H4
InChIKeyKPWPNIOHBYBIIA-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-cyclopent-2-en-1-ol
CID 11789128
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
CID 10888785
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
CID 68518361
CID 68518361
(1R)-cyclohex-2-en-1-ol;titanium
CID 162397181
(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
CID 121291315
(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
CID 177477275
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738

Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane?
The IUPAC name of cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane (CID 159205926) is cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane.
What is the SMILES notation for cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane?
The canonical SMILES for cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane is C.C.O=C1C=CCC1.OC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane?
The InChIKey is KPWPNIOHBYBIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H6O.2CH4/c2*6-5-3-1-2-4-5;;/h1,3,5-6H,2,4H2;1,3H,2,4H2;2*1H4.
What are the key properties of cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane?
cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane has a molecular weight of 198.31 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane is sourced from PubChem (CID 159205926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).