3-[(E)-2,3-dichloroprop-2-enoxy]azetidine

C6H9Cl2NO — CID 131384043

IUPAC3-[(E)-2,3-dichloroprop-2-enoxy]azetidine
SMILESCl/C=C(/Cl)COC1CNC1
InChIInChI=1S/C6H9Cl2NO/c7-1-5(8)4-10-6-2-9-3-6/h1,6,9H,2-4H2/b5-1+
InChIKeyTZPLVFDRFNPJCG-ORCRQEGFSA-N
MW182.05 g/mol
LogP1.29
Rot. Bonds3

About 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine

3-[(E)-2,3-dichloroprop-2-enoxy]azetidine (PubChem CID 131384043) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine.

Molecular Properties

Compound Name3-[(E)-2,3-dichloroprop-2-enoxy]azetidine
PubChem CID131384043
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name3-[(E)-2,3-dichloroprop-2-enoxy]azetidine
SMILESCl/C=C(/Cl)COC1CNC1
InChIInChI=1S/C6H9Cl2NO/c7-1-5(8)4-10-6-2-9-3-6/h1,6,9H,2-4H2/b5-1+
InChIKeyTZPLVFDRFNPJCG-ORCRQEGFSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid
CID 104928309
3-(2-bromoprop-2-enoxy)azetidine
CID 63106273
3-(2-chloroprop-2-enoxy)pyrrolidine
CID 62328785
3-ethoxyazetidine
CID 22507733
2-(azetidin-3-yloxy)-N-(cyclopropylmethyl)acetamide
CID 63105334
propan-2-yl 2-(azetidin-3-yloxy)acetate
CID 106939880
3-(4-chloro-3,3-difluorobutoxy)azetidine
CID 175192234
1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
CID 119669536
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 119791808
3-[(2-methylcyclopropyl)methoxy]azetidine
CID 165499801
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine?
The IUPAC name of 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine (CID 131384043) is 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine.
What is the SMILES notation for 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine?
The canonical SMILES for 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine is Cl/C=C(/Cl)COC1CNC1.
What is the InChIKey of 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine?
The InChIKey is TZPLVFDRFNPJCG-ORCRQEGFSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c7-1-5(8)4-10-6-2-9-3-6/h1,6,9H,2-4H2/b5-1+.
What are the key properties of 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine?
3-[(E)-2,3-dichloroprop-2-enoxy]azetidine has a molecular weight of 182.05 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2,3-dichloroprop-2-enoxy]azetidine is sourced from PubChem (CID 131384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).