azetidine-1-carbonyl chloride;ethane

C6H12ClNO — CID 91472594

IUPACazetidine-1-carbonyl chloride;ethane
SMILESCC.O=C(Cl)N1CCC1
InChIInChI=1S/C4H6ClNO.C2H6/c5-4(7)6-2-1-3-6;1-2/h1-3H2;1-2H3
InChIKeyAAPPBDSVZHEMNL-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.08
Rot. Bonds

About azetidine-1-carbonyl chloride;ethane

azetidine-1-carbonyl chloride;ethane (PubChem CID 91472594) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is azetidine-1-carbonyl chloride;ethane.

Molecular Properties

Compound Nameazetidine-1-carbonyl chloride;ethane
PubChem CID91472594
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Nameazetidine-1-carbonyl chloride;ethane
SMILESCC.O=C(Cl)N1CCC1
InChIInChI=1S/C4H6ClNO.C2H6/c5-4(7)6-2-1-3-6;1-2/h1-3H2;1-2H3
InChIKeyAAPPBDSVZHEMNL-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of azetidine-1-carbonyl chloride;ethane?
The IUPAC name of azetidine-1-carbonyl chloride;ethane (CID 91472594) is azetidine-1-carbonyl chloride;ethane.
What is the SMILES notation for azetidine-1-carbonyl chloride;ethane?
The canonical SMILES for azetidine-1-carbonyl chloride;ethane is CC.O=C(Cl)N1CCC1.
What is the InChIKey of azetidine-1-carbonyl chloride;ethane?
The InChIKey is AAPPBDSVZHEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO.C2H6/c5-4(7)6-2-1-3-6;1-2/h1-3H2;1-2H3.
What are the key properties of azetidine-1-carbonyl chloride;ethane?
azetidine-1-carbonyl chloride;ethane has a molecular weight of 149.62 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1-carbonyl chloride;ethane is sourced from PubChem (CID 91472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).