cyclopent-3-en-1-yl 2-hydroxypropanoate

C8H12O3 — CID 22150875

IUPACcyclopent-3-en-1-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1CC=CC1
InChIInChI=1S/C8H12O3/c1-6(9)8(10)11-7-4-2-3-5-7/h2-3,6-7,9H,4-5H2,1H3
InChIKeyVXSQZJZKVHAWFV-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

About cyclopent-3-en-1-yl 2-hydroxypropanoate

cyclopent-3-en-1-yl 2-hydroxypropanoate (PubChem CID 22150875) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is cyclopent-3-en-1-yl 2-hydroxypropanoate.

Molecular Properties

Compound Namecyclopent-3-en-1-yl 2-hydroxypropanoate
PubChem CID22150875
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namecyclopent-3-en-1-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1CC=CC1
InChIInChI=1S/C8H12O3/c1-6(9)8(10)11-7-4-2-3-5-7/h2-3,6-7,9H,4-5H2,1H3
InChIKeyVXSQZJZKVHAWFV-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-5-propan-2-ylcyclohexyl) 2-hydroxypropanoate
CID 57120785
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
cyclopropyl 2-methylpropanoate
CID 54511576
cyclohex-3-en-1-yl (2R)-2-amino-3-sulfanylpropanoate
CID 139939163
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
1-cyclopropylethyl (2S)-2-hydroxypropanoate
CID 131206662
[(1S)-1-cyclopropylethyl] (2R)-2-hydroxypropanoate
CID 131227735
CID 58434340
CID 58434340
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
dipropan-2-yl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate
CID 135076084
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methanol;methyl 2-hydroxypropanoate
CID 157321309

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl 2-hydroxypropanoate?
The IUPAC name of cyclopent-3-en-1-yl 2-hydroxypropanoate (CID 22150875) is cyclopent-3-en-1-yl 2-hydroxypropanoate.
What is the SMILES notation for cyclopent-3-en-1-yl 2-hydroxypropanoate?
The canonical SMILES for cyclopent-3-en-1-yl 2-hydroxypropanoate is CC(O)C(=O)OC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl 2-hydroxypropanoate?
The InChIKey is VXSQZJZKVHAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(9)8(10)11-7-4-2-3-5-7/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of cyclopent-3-en-1-yl 2-hydroxypropanoate?
cyclopent-3-en-1-yl 2-hydroxypropanoate has a molecular weight of 156.18 g/mol, XLogP of 0.63, 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-yl 2-hydroxypropanoate is sourced from PubChem (CID 22150875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).