3-(oxiran-2-yl)propanoyl chloride

C5H7ClO2 — CID 175059672

IUPAC3-(oxiran-2-yl)propanoyl chloride
SMILESO=C(Cl)CCC1CO1
InChIInChI=1S/C5H7ClO2/c6-5(7)2-1-4-3-8-4/h4H,1-3H2
InChIKeyRBOPRSVWKUWBGV-UHFFFAOYSA-N
MW134.56 g/mol
LogP0.93
Rot. Bonds3

About 3-(oxiran-2-yl)propanoyl chloride

3-(oxiran-2-yl)propanoyl chloride (PubChem CID 175059672) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is 3-(oxiran-2-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(oxiran-2-yl)propanoyl chloride
PubChem CID175059672
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Name3-(oxiran-2-yl)propanoyl chloride
SMILESO=C(Cl)CCC1CO1
InChIInChI=1S/C5H7ClO2/c6-5(7)2-1-4-3-8-4/h4H,1-3H2
InChIKeyRBOPRSVWKUWBGV-UHFFFAOYSA-N
XLogP0.93
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-4-(oxiran-2-yl)butan-2-one
CID 158699447
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
CID 165461836
(4R)-4-amino-1-(oxiran-2-yl)hexan-3-one
CID 165464246
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide
CID 146374336
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
oxiran-2-ylmethoxy carbonochloridate
CID 87599534
N-[2-(oxiran-2-yl)ethyl]carbamoyl iodide
CID 126670743
3-(1,3-dithian-2-yl)propanoyl chloride
CID 87094253
3-[4-(oxiran-2-yl)butylsulfanyl]propanoic acid
CID 58205269
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-yl)propanoyl chloride?
The IUPAC name of 3-(oxiran-2-yl)propanoyl chloride (CID 175059672) is 3-(oxiran-2-yl)propanoyl chloride.
What is the SMILES notation for 3-(oxiran-2-yl)propanoyl chloride?
The canonical SMILES for 3-(oxiran-2-yl)propanoyl chloride is O=C(Cl)CCC1CO1.
What is the InChIKey of 3-(oxiran-2-yl)propanoyl chloride?
The InChIKey is RBOPRSVWKUWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c6-5(7)2-1-4-3-8-4/h4H,1-3H2.
What are the key properties of 3-(oxiran-2-yl)propanoyl chloride?
3-(oxiran-2-yl)propanoyl chloride has a molecular weight of 134.56 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yl)propanoyl chloride is sourced from PubChem (CID 175059672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).