azetidine-3-carbonyl chloride

C4H6ClNO — CID 154252527

IUPACazetidine-3-carbonyl chloride
SMILESO=C(Cl)C1CNC1
InChIInChI=1S/C4H6ClNO/c5-4(7)3-1-6-2-3/h3,6H,1-2H2
InChIKeyHEDGDTOCIJZQIF-UHFFFAOYSA-N
MW119.55 g/mol
LogP-0.03
Rot. Bonds1

About azetidine-3-carbonyl chloride

azetidine-3-carbonyl chloride (PubChem CID 154252527) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is azetidine-3-carbonyl chloride.

Molecular Properties

Compound Nameazetidine-3-carbonyl chloride
PubChem CID154252527
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC Nameazetidine-3-carbonyl chloride
SMILESO=C(Cl)C1CNC1
InChIInChI=1S/C4H6ClNO/c5-4(7)3-1-6-2-3/h3,6H,1-2H2
InChIKeyHEDGDTOCIJZQIF-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 5-0.03
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

azetidine-3-carbonyl chloride;benzyl carbonochloridate
CID 175294608
azetidine-3-carboxylate
CID 19814779
azetidine-3-carbonyl azetidine-3-carboxylate
CID 57199777
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
azetidine-3-carboxylate;tert-butylazanium
CID 162190056
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792
(5S)-5-aminopiperidine-3-carboxylic acid
CID 66697162
(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
bis(azetidine-3-carboxylic acid);sulfuric acid
CID 175702403
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120

Frequently Asked Questions

What is the IUPAC name of azetidine-3-carbonyl chloride?
The IUPAC name of azetidine-3-carbonyl chloride (CID 154252527) is azetidine-3-carbonyl chloride.
What is the SMILES notation for azetidine-3-carbonyl chloride?
The canonical SMILES for azetidine-3-carbonyl chloride is O=C(Cl)C1CNC1.
What is the InChIKey of azetidine-3-carbonyl chloride?
The InChIKey is HEDGDTOCIJZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO/c5-4(7)3-1-6-2-3/h3,6H,1-2H2.
What are the key properties of azetidine-3-carbonyl chloride?
azetidine-3-carbonyl chloride has a molecular weight of 119.55 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-carbonyl chloride is sourced from PubChem (CID 154252527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).