4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride

C7H9ClO2 — CID 130142481

IUPAC4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C1C=CC(CO)C1
InChIInChI=1S/C7H9ClO2/c8-7(10)6-2-1-5(3-6)4-9/h1-2,5-6,9H,3-4H2
InChIKeyRKMZZUMCIJCFST-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.94
Rot. Bonds2

About 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride

4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride (PubChem CID 130142481) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride.

Molecular Properties

Compound Name4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
PubChem CID130142481
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C1C=CC(CO)C1
InChIInChI=1S/C7H9ClO2/c8-7(10)6-2-1-5(3-6)4-9/h1-2,5-6,9H,3-4H2
InChIKeyRKMZZUMCIJCFST-UHFFFAOYSA-N
XLogP0.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
CID 159585552
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
(1S,2S,5S)-5-(hydroxymethyl)cyclohex-3-ene-1,2-diol
CID 101134845
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate
CID 11745661
2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111696926
butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
CID 166706819

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride?
The IUPAC name of 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride (CID 130142481) is 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride.
What is the SMILES notation for 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride?
The canonical SMILES for 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride is O=C(Cl)C1C=CC(CO)C1.
What is the InChIKey of 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride?
The InChIKey is RKMZZUMCIJCFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c8-7(10)6-2-1-5(3-6)4-9/h1-2,5-6,9H,3-4H2.
What are the key properties of 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride?
4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride has a molecular weight of 160.60 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride is sourced from PubChem (CID 130142481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).