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

C13H21NO2 — CID 11658629

IUPAC(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1[C@H](OC)C(=O)N1C1CCCCC1
InChIInChI=1S/C13H21NO2/c1-9(2)11-12(16-3)13(15)14(11)10-7-5-4-6-8-10/h10-12H,1,4-8H2,2-3H3/t11-,12+/m1/s1
InChIKeyMCIJHXKQIOTMLB-NEPJUHHUSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

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

(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (PubChem CID 11658629) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
PubChem CID11658629
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1[C@H](OC)C(=O)N1C1CCCCC1
InChIInChI=1S/C13H21NO2/c1-9(2)11-12(16-3)13(15)14(11)10-7-5-4-6-8-10/h10-12H,1,4-8H2,2-3H3/t11-,12+/m1/s1
InChIKeyMCIJHXKQIOTMLB-NEPJUHHUSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
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
(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
(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 101376908

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The IUPAC name of (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (CID 11658629) is (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is C=C(C)[C@@H]1[C@H](OC)C(=O)N1C1CCCCC1.
What is the InChIKey of (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The InChIKey is MCIJHXKQIOTMLB-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)11-12(16-3)13(15)14(11)10-7-5-4-6-8-10/h10-12H,1,4-8H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is sourced from PubChem (CID 11658629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).