3-aminopropanoyl chloride

C3H6ClNO — CID 11217318

IUPAC3-aminopropanoyl chloride
SMILESNCCC(=O)Cl
InChIInChI=1S/C3H6ClNO/c4-3(6)1-2-5/h1-2,5H2
InChIKeyGLABFZPEHHFGDW-UHFFFAOYSA-N
MW107.54 g/mol
LogP0.10
Rot. Bonds2

About 3-aminopropanoyl chloride

3-aminopropanoyl chloride (PubChem CID 11217318) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is 3-aminopropanoyl chloride.

Molecular Properties

Compound Name3-aminopropanoyl chloride
PubChem CID11217318
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC Name3-aminopropanoyl chloride
SMILESNCCC(=O)Cl
InChIInChI=1S/C3H6ClNO/c4-3(6)1-2-5/h1-2,5H2
InChIKeyGLABFZPEHHFGDW-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetyl chloride;hydrochloride
CID 15561435
3-(15N)azanyl(113C)propanoic acid
CID 11366951
2-aminoethanol;carbonyl dichloride
CID 174939144
2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride
CID 175295628
CID 87057822
CID 87057822
3-aminopropanoyl fluoride
CID 141326128
2-(3-aminopropanoyl)propanedioic acid
CID 172844038
azanium 3-aminopropanoate
CID 156782733
butanoyl chloride;hydroiodide
CID 162309857
4-aminobutan-2-one;zinc
CID 163742307
zinc bis(3-aminopropanoate)
CID 87686720
calcium bis(3-aminopropanoate)
CID 135001381

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoyl chloride?
The IUPAC name of 3-aminopropanoyl chloride (CID 11217318) is 3-aminopropanoyl chloride.
What is the SMILES notation for 3-aminopropanoyl chloride?
The canonical SMILES for 3-aminopropanoyl chloride is NCCC(=O)Cl.
What is the InChIKey of 3-aminopropanoyl chloride?
The InChIKey is GLABFZPEHHFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO/c4-3(6)1-2-5/h1-2,5H2.
What are the key properties of 3-aminopropanoyl chloride?
3-aminopropanoyl chloride has a molecular weight of 107.54 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoyl chloride is sourced from PubChem (CID 11217318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).