4-chloro-3-hydroxypent-4-en-2-one

C5H7ClO2 — CID 151788502

IUPAC4-chloro-3-hydroxypent-4-en-2-one
SMILESC=C(Cl)C(O)C(C)=O
InChIInChI=1S/C5H7ClO2/c1-3(6)5(8)4(2)7/h5,8H,1H2,2H3
InChIKeyRWCRYJFEEMQOLF-UHFFFAOYSA-N
MW134.56 g/mol
LogP0.69
Rot. Bonds2

About 4-chloro-3-hydroxypent-4-en-2-one

4-chloro-3-hydroxypent-4-en-2-one (PubChem CID 151788502) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is 4-chloro-3-hydroxypent-4-en-2-one.

Molecular Properties

Compound Name4-chloro-3-hydroxypent-4-en-2-one
PubChem CID151788502
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Name4-chloro-3-hydroxypent-4-en-2-one
SMILESC=C(Cl)C(O)C(C)=O
InChIInChI=1S/C5H7ClO2/c1-3(6)5(8)4(2)7/h5,8H,1H2,2H3
InChIKeyRWCRYJFEEMQOLF-UHFFFAOYSA-N
XLogP0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-4-hydroxypent-4-en-2-one
CID 139133826
1,1-dichloropropan-2-one
CID 10567
carbonochloridic acid;prop-1-en-2-olate
CID 172743448
acetyl chloride;methane
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carbonyl dichloride;propan-2-one
CID 161102507
(2S)-2-methyl-3-oxobutanoyl chloride
CID 102579791
3-hydroxyheptane-2,4-dione
CID 102113596
(2R,3S)-2,3-dimethyl-4-oxopentanoyl chloride
CID 59966125
acetic acid;2-chlorobuta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxypent-4-en-2-one?
The IUPAC name of 4-chloro-3-hydroxypent-4-en-2-one (CID 151788502) is 4-chloro-3-hydroxypent-4-en-2-one.
What is the SMILES notation for 4-chloro-3-hydroxypent-4-en-2-one?
The canonical SMILES for 4-chloro-3-hydroxypent-4-en-2-one is C=C(Cl)C(O)C(C)=O.
What is the InChIKey of 4-chloro-3-hydroxypent-4-en-2-one?
The InChIKey is RWCRYJFEEMQOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-3(6)5(8)4(2)7/h5,8H,1H2,2H3.
What are the key properties of 4-chloro-3-hydroxypent-4-en-2-one?
4-chloro-3-hydroxypent-4-en-2-one has a molecular weight of 134.56 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxypent-4-en-2-one is sourced from PubChem (CID 151788502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).