(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one

C16H19NO3 — CID 53255291

IUPAC(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCC(O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C16H19NO3/c1-3-8-13(18)14-15(16(19)17(14)11-4-2)20-12-9-6-5-7-10-12/h3-7,9-10,13-15,18H,1-2,8,11H2/t13?,14-,15+/m0/s1
InChIKeyIBXDSWRABLEZJM-NOYMGPGASA-N
MW273.33 g/mol
LogP1.77
Rot. Bonds7

About (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one

(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one (PubChem CID 53255291) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one
PubChem CID53255291
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCC(O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C16H19NO3/c1-3-8-13(18)14-15(16(19)17(14)11-4-2)20-12-9-6-5-7-10-12/h3-7,9-10,13-15,18H,1-2,8,11H2/t13?,14-,15+/m0/s1
InChIKeyIBXDSWRABLEZJM-NOYMGPGASA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one (CID 53255291) is (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one is C=CCC(O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C.
What is the InChIKey of (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is IBXDSWRABLEZJM-NOYMGPGASA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-8-13(18)14-15(16(19)17(14)11-4-2)20-12-9-6-5-7-10-12/h3-7,9-10,13-15,18H,1-2,8,11H2/t13?,14-,15+/m0/s1.
What are the key properties of (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 273.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 53255291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).