2-methylazetidine-1-carbonyl chloride

C5H8ClNO — CID 155822538

IUPAC2-methylazetidine-1-carbonyl chloride
SMILESCC1CCN1C(=O)Cl
InChIInChI=1S/C5H8ClNO/c1-4-2-3-7(4)5(6)8/h4H,2-3H2,1H3
InChIKeyBDZSOZGNXGZREG-UHFFFAOYSA-N
MW133.58 g/mol
LogP1.44
Rot. Bonds

About 2-methylazetidine-1-carbonyl chloride

2-methylazetidine-1-carbonyl chloride (PubChem CID 155822538) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 2-methylazetidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-methylazetidine-1-carbonyl chloride
PubChem CID155822538
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name2-methylazetidine-1-carbonyl chloride
SMILESCC1CCN1C(=O)Cl
InChIInChI=1S/C5H8ClNO/c1-4-2-3-7(4)5(6)8/h4H,2-3H2,1H3
InChIKeyBDZSOZGNXGZREG-UHFFFAOYSA-N
XLogP1.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylcarbamoyl chloride
CID 87890
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-butyl-N-ethylcarbamoyl chloride
CID 15338770
N-cyclobutyl-N-methylcarbamoyl chloride
CID 88541710
N-butan-2-yl-N-methylcarbamoyl chloride
CID 19070645
N-(butan-2-yl)-N-ethylcarbamoyl chloride
CID 19070647
N-(Propan-2-YL)-N-propylcarbamoyl chloride
CID 22371097
N-butyl-N-propan-2-ylcarbamoyl chloride
CID 87810245
N-propan-2-yl-N-propylcarbamoyl chloride;hydrobromide
CID 88405590
Azetidine-1-carbonyl chloride;ethane
CID 91472594
2-Methylazetidine-1-carbaldehyde
CID 145255275
(2R)-2-methylazetidine-1-carbaldehyde
CID 175056407

Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine-1-carbonyl chloride?
The IUPAC name of 2-methylazetidine-1-carbonyl chloride (CID 155822538) is 2-methylazetidine-1-carbonyl chloride.
What is the SMILES notation for 2-methylazetidine-1-carbonyl chloride?
The canonical SMILES for 2-methylazetidine-1-carbonyl chloride is CC1CCN1C(=O)Cl.
What is the InChIKey of 2-methylazetidine-1-carbonyl chloride?
The InChIKey is BDZSOZGNXGZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c1-4-2-3-7(4)5(6)8/h4H,2-3H2,1H3.
What are the key properties of 2-methylazetidine-1-carbonyl chloride?
2-methylazetidine-1-carbonyl chloride has a molecular weight of 133.58 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine-1-carbonyl chloride is sourced from PubChem (CID 155822538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).