(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one

C11H13NO2 — CID 89264538

IUPAC(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12-9(10(14-2)11(12)13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m0/s1
InChIKeyDARMPVVPZRTSMJ-VHSXEESVSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds2

About (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one

(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one (PubChem CID 89264538) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one
PubChem CID89264538
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12-9(10(14-2)11(12)13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m0/s1
InChIKeyDARMPVVPZRTSMJ-VHSXEESVSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one (CID 89264538) is (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one is CO[C@H]1C(=O)N(C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one?
The InChIKey is DARMPVVPZRTSMJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-9(10(14-2)11(12)13)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one?
(3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 89264538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).