(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one

C11H13NO2S — CID 101065904

IUPAC(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1c1ccsc1
InChIInChI=1S/C11H13NO2S/c1-3-5-12-9(8-4-6-15-7-8)10(14-2)11(12)13/h3-4,6-7,9-10H,1,5H2,2H3/t9-,10+/m0/s1
InChIKeyZXGCNNKOYZFUJZ-VHSXEESVSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds4

About (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one

(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one (PubChem CID 101065904) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
PubChem CID101065904
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1c1ccsc1
InChIInChI=1S/C11H13NO2S/c1-3-5-12-9(8-4-6-15-7-8)10(14-2)11(12)13/h3-4,6-7,9-10H,1,5H2,2H3/t9-,10+/m0/s1
InChIKeyZXGCNNKOYZFUJZ-VHSXEESVSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
CID 11198655
4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 11245716
N,N-diethyl-3-[(3R,4R)-2-oxo-3-phenoxy-4-thiophen-3-ylazetidin-1-yl]propanamide
CID 52504424
[(2R,3S)-2-(2-bromophenyl)-4-oxo-1-prop-2-enylazetidin-3-yl] acetate
CID 15282392
(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
CID 122372888
(3S,4R)-4-(1-methylimidazol-2-yl)-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 122208454
(4S)-1-prop-2-enyl-6-propyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7271062
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate
CID 174380511
3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 42814191
2-methyl-4-thiophen-3-yloxazetidin-3-one
CID 13301280
[(1R)-3-bromo-1-[(2S,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]but-3-enyl] acetate
CID 11739052

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one (CID 101065904) is (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one is C=CCN1C(=O)[C@H](OC)[C@@H]1c1ccsc1.
What is the InChIKey of (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one?
The InChIKey is ZXGCNNKOYZFUJZ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-5-12-9(8-4-6-15-7-8)10(14-2)11(12)13/h3-4,6-7,9-10H,1,5H2,2H3/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one?
(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one is sourced from PubChem (CID 101065904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).