3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine

C7H12ClNO — CID 83065435

IUPAC3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine
SMILESCC1(OC/C=C/Cl)CNC1
InChIInChI=1S/C7H12ClNO/c1-7(5-9-6-7)10-4-2-3-8/h2-3,9H,4-6H2,1H3/b3-2+
InChIKeyWQMLGPOKWWFVBK-NSCUHMNNSA-N
MW161.63 g/mol
LogP1.12
Rot. Bonds3

About 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine

3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine (PubChem CID 83065435) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine
PubChem CID83065435
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine
SMILESCC1(OC/C=C/Cl)CNC1
InChIInChI=1S/C7H12ClNO/c1-7(5-9-6-7)10-4-2-3-8/h2-3,9H,4-6H2,1H3/b3-2+
InChIKeyWQMLGPOKWWFVBK-NSCUHMNNSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine?
The IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine (CID 83065435) is 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine is CC1(OC/C=C/Cl)CNC1.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine?
The InChIKey is WQMLGPOKWWFVBK-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-7(5-9-6-7)10-4-2-3-8/h2-3,9H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine?
3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine has a molecular weight of 161.63 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-2-enoxy]-3-methylazetidine is sourced from PubChem (CID 83065435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).