(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one

C11H19NO2 — CID 101376908

IUPAC(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@H]1[C@@H](OC)C(=O)N1C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-7(2)8-9(14-6)10(13)12(8)11(3,4)5/h8-9H,1H2,2-6H3/t8-,9+/m0/s1
InChIKeyIRUHGROQPUYWEC-DTWKUNHWSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one

(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (PubChem CID 101376908) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
PubChem CID101376908
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@H]1[C@@H](OC)C(=O)N1C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-7(2)8-9(14-6)10(13)12(8)11(3,4)5/h8-9H,1H2,2-6H3/t8-,9+/m0/s1
InChIKeyIRUHGROQPUYWEC-DTWKUNHWSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 11636933
(3S,4R)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 11252593
(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one
CID 11550100
(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 11658629
(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one
CID 24805703
(3R,4S)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 101376903
(3R,4S)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 101376905

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (CID 101376908) is (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is C=C(C)[C@H]1[C@@H](OC)C(=O)N1C(C)(C)C.
What is the InChIKey of (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The InChIKey is IRUHGROQPUYWEC-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)8-9(14-6)10(13)12(8)11(3,4)5/h8-9H,1H2,2-6H3/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is sourced from PubChem (CID 101376908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).