3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one

C8H9ClO2 — CID 15372165

IUPAC3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(Cl)C(O)(C2CC2)C1
InChIInChI=1S/C8H9ClO2/c9-7-3-6(10)4-8(7,11)5-1-2-5/h3,5,11H,1-2,4H2
InChIKeyWIFURZAKMOSKHE-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.22
Rot. Bonds1

About 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one

3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one (PubChem CID 15372165) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one
PubChem CID15372165
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(Cl)C(O)(C2CC2)C1
InChIInChI=1S/C8H9ClO2/c9-7-3-6(10)4-8(7,11)5-1-2-5/h3,5,11H,1-2,4H2
InChIKeyWIFURZAKMOSKHE-UHFFFAOYSA-N
XLogP1.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-3-chloro-4-hydroxycyclopent-2-en-1-one
CID 10954309
3-Chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one
CID 15372161
3-Chloro-4-hydroxy-4-propan-2-ylcyclopent-2-en-1-one
CID 15372162
3-Chloro-4-hydroxy-4-(2-methylpropyl)cyclopent-2-en-1-one
CID 15372163

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one (CID 15372165) is 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one is O=C1C=C(Cl)C(O)(C2CC2)C1.
What is the InChIKey of 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one?
The InChIKey is WIFURZAKMOSKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-7-3-6(10)4-8(7,11)5-1-2-5/h3,5,11H,1-2,4H2.
What are the key properties of 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one?
3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one has a molecular weight of 172.61 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 15372165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).