cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate

C13H20O3 — CID 162089386

IUPACcyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=CC1.OCC1CC=CC1
InChIInChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2
InChIKeyZDJXUYQDYHWCAX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds2

About cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate

cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate (PubChem CID 162089386) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namecyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
PubChem CID162089386
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namecyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=CC1.OCC1CC=CC1
InChIInChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2
InChIKeyZDJXUYQDYHWCAX-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate 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

trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
CID 20975306
methyl 3,4-dihydro-2H-pyran-3-carboxylate
CID 45089973
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate
CID 167563404
methyl cyclohexanecarboxylate;methyl cyclohex-3-ene-1-carboxylate;molecular hydrogen
CID 159841486
methyl 1,2,3,4-tetrahydropyridine-3-carboxylate;hydrobromide
CID 143647184
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
[4-(ethylsulfonylmethyl)cyclohexyl]methanol;methane;methyl 4-(ethylsulfonylmethyl)cyclohexane-1-carboxylate
CID 167579871
methyl 3-cyclohex-3-en-1-ylpropanoate
CID 12772855
di(cyclopent-3-en-1-yl)methanone
CID 172856015
cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
CID 158577027

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The IUPAC name of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate (CID 162089386) is cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The canonical SMILES for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate is COC(=O)C1CC=CC1.OCC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The InChIKey is ZDJXUYQDYHWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2.
What are the key properties of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 162089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).