3-cyclopropyloxy-3-methylazetidine;hydrochloride

C7H14ClNO — CID 170907322

IUPAC3-cyclopropyloxy-3-methylazetidine;hydrochloride
SMILESCC1(OC2CC2)CNC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(4-8-5-7)9-6-2-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyHILPCVDYGVJTIF-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds2

About 3-cyclopropyloxy-3-methylazetidine;hydrochloride

3-cyclopropyloxy-3-methylazetidine;hydrochloride (PubChem CID 170907322) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-cyclopropyloxy-3-methylazetidine;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyloxy-3-methylazetidine;hydrochloride
PubChem CID170907322
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-cyclopropyloxy-3-methylazetidine;hydrochloride
SMILESCC1(OC2CC2)CNC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(4-8-5-7)9-6-2-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyHILPCVDYGVJTIF-UHFFFAOYSA-N
XLogP0.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-3-methylazetidine;hydrochloride?
The IUPAC name of 3-cyclopropyloxy-3-methylazetidine;hydrochloride (CID 170907322) is 3-cyclopropyloxy-3-methylazetidine;hydrochloride.
What is the SMILES notation for 3-cyclopropyloxy-3-methylazetidine;hydrochloride?
The canonical SMILES for 3-cyclopropyloxy-3-methylazetidine;hydrochloride is CC1(OC2CC2)CNC1.Cl.
What is the InChIKey of 3-cyclopropyloxy-3-methylazetidine;hydrochloride?
The InChIKey is HILPCVDYGVJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-7(4-8-5-7)9-6-2-3-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of 3-cyclopropyloxy-3-methylazetidine;hydrochloride?
3-cyclopropyloxy-3-methylazetidine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-3-methylazetidine;hydrochloride is sourced from PubChem (CID 170907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).