(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one

C12H13NO2 — CID 10655761

IUPAC(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
SMILESC=C1C(=O)N(c2ccc(OC)cc2)[C@H]1C
InChIInChI=1S/C12H13NO2/c1-8-9(2)13(12(8)14)10-4-6-11(15-3)7-5-10/h4-7,9H,1H2,2-3H3/t9-/m0/s1
InChIKeyFYVASBTTZLNNPE-VIFPVBQESA-N
MW203.24 g/mol
LogP1.99
Rot. Bonds2

About (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one

(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one (PubChem CID 10655761) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
PubChem CID10655761
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
SMILESC=C1C(=O)N(c2ccc(OC)cc2)[C@H]1C
InChIInChI=1S/C12H13NO2/c1-8-9(2)13(12(8)14)10-4-6-11(15-3)7-5-10/h4-7,9H,1H2,2-3H3/t9-/m0/s1
InChIKeyFYVASBTTZLNNPE-VIFPVBQESA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 100932718
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 102211172
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
CID 100929846
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 15421450
6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 44509447
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one (CID 10655761) is (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one is C=C1C(=O)N(c2ccc(OC)cc2)[C@H]1C.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one?
The InChIKey is FYVASBTTZLNNPE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9(2)13(12(8)14)10-4-6-11(15-3)7-5-10/h4-7,9H,1H2,2-3H3/t9-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one?
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one is sourced from PubChem (CID 10655761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).