(4S)-4-propylazetidin-2-one;hydrochloride

C6H12ClNO — CID 66909952

IUPAC(4S)-4-propylazetidin-2-one;hydrochloride
SMILESCCC[C@H]1CC(=O)N1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-5-4-6(8)7-5;/h5H,2-4H2,1H3,(H,7,8);1H/t5-;/m0./s1
InChIKeyNWTKWFMGMCRHOK-JEDNCBNOSA-N
MW149.62 g/mol
LogP1.10
Rot. Bonds2

About (4S)-4-propylazetidin-2-one;hydrochloride

(4S)-4-propylazetidin-2-one;hydrochloride (PubChem CID 66909952) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (4S)-4-propylazetidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-propylazetidin-2-one;hydrochloride
PubChem CID66909952
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(4S)-4-propylazetidin-2-one;hydrochloride
SMILESCCC[C@H]1CC(=O)N1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-5-4-6(8)7-5;/h5H,2-4H2,1H3,(H,7,8);1H/t5-;/m0./s1
InChIKeyNWTKWFMGMCRHOK-JEDNCBNOSA-N
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propylazetidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-propylazetidin-2-one;hydrochloride (CID 66909952) is (4S)-4-propylazetidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-propylazetidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-propylazetidin-2-one;hydrochloride is CCC[C@H]1CC(=O)N1.Cl.
What is the InChIKey of (4S)-4-propylazetidin-2-one;hydrochloride?
The InChIKey is NWTKWFMGMCRHOK-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-3-5-4-6(8)7-5;/h5H,2-4H2,1H3,(H,7,8);1H/t5-;/m0./s1.
What are the key properties of (4S)-4-propylazetidin-2-one;hydrochloride?
(4S)-4-propylazetidin-2-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propylazetidin-2-one;hydrochloride is sourced from PubChem (CID 66909952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).