1-(azetidin-3-yl)propan-1-one;hydrochloride

C6H12ClNO — CID 142435570

IUPAC1-(azetidin-3-yl)propan-1-one;hydrochloride
SMILESCCC(=O)C1CNC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChIKeyVFRAWGOEIJTTEB-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.61
Rot. Bonds2

About 1-(azetidin-3-yl)propan-1-one;hydrochloride

1-(azetidin-3-yl)propan-1-one;hydrochloride (PubChem CID 142435570) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-(azetidin-3-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)propan-1-one;hydrochloride
PubChem CID142435570
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name1-(azetidin-3-yl)propan-1-one;hydrochloride
SMILESCCC(=O)C1CNC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChIKeyVFRAWGOEIJTTEB-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)propan-1-one;hydrochloride (CID 142435570) is 1-(azetidin-3-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)propan-1-one;hydrochloride is CCC(=O)C1CNC1.Cl.
What is the InChIKey of 1-(azetidin-3-yl)propan-1-one;hydrochloride?
The InChIKey is VFRAWGOEIJTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 1-(azetidin-3-yl)propan-1-one;hydrochloride?
1-(azetidin-3-yl)propan-1-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 142435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).