(4S)-4-(chloromethyl)azetidin-2-one

C4H6ClNO — CID 148668649

IUPAC(4S)-4-(chloromethyl)azetidin-2-one
SMILESO=C1C[C@@H](CCl)N1
InChIInChI=1S/C4H6ClNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyNPGIEXIPSHIDBY-VKHMYHEASA-N
MW119.55 g/mol
LogP0.11
Rot. Bonds1

About (4S)-4-(chloromethyl)azetidin-2-one

(4S)-4-(chloromethyl)azetidin-2-one (PubChem CID 148668649) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is (4S)-4-(chloromethyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(chloromethyl)azetidin-2-one
PubChem CID148668649
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC Name(4S)-4-(chloromethyl)azetidin-2-one
SMILESO=C1C[C@@H](CCl)N1
InChIInChI=1S/C4H6ClNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyNPGIEXIPSHIDBY-VKHMYHEASA-N
XLogP0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(fluoromethyl)azetidin-2-one
CID 54536465
(4S)-4-propylazetidin-2-one
CID 18603540
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(4R)-4-(methylsulfanylmethyl)azetidin-2-one
CID 20641349
4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one
CID 10262445
4-(2-oxopropyl)azetidin-2-one
CID 10887909
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
(4R)-4-(1-aminoethenoxymethyl)azetidin-2-one
CID 174305211
(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
CID 70971063
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(chloromethyl)azetidin-2-one?
The IUPAC name of (4S)-4-(chloromethyl)azetidin-2-one (CID 148668649) is (4S)-4-(chloromethyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(chloromethyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(chloromethyl)azetidin-2-one is O=C1C[C@@H](CCl)N1.
What is the InChIKey of (4S)-4-(chloromethyl)azetidin-2-one?
The InChIKey is NPGIEXIPSHIDBY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6ClNO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (4S)-4-(chloromethyl)azetidin-2-one?
(4S)-4-(chloromethyl)azetidin-2-one has a molecular weight of 119.55 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(chloromethyl)azetidin-2-one is sourced from PubChem (CID 148668649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).