(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one

C10H10ClNO2 — CID 11171849

IUPAC(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)[C@H]2Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(13)12-9/h2-5,8-9H,1H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyRAAPKDNESKFCMB-IUCAKERBSA-N
MW211.65 g/mol
LogP1.47
Rot. Bonds2

About (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one

(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one (PubChem CID 11171849) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
PubChem CID11171849
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2NC(=O)[C@H]2Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(13)12-9/h2-5,8-9H,1H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyRAAPKDNESKFCMB-IUCAKERBSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
CID 72988124
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one
CID 23315754
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 154983238
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
CID 177442101
4,5-bis(4-chlorophenyl)-8a-(4-methoxyphenyl)-3,4,4a,5,6,8-hexahydro-1H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 101438864

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one (CID 11171849) is (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2NC(=O)[C@H]2Cl)cc1.
What is the InChIKey of (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is RAAPKDNESKFCMB-IUCAKERBSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-7-4-2-6(3-5-7)9-8(11)10(13)12-9/h2-5,8-9H,1H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one?
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 11171849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).