(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one

C17H19NO3 — CID 11196901

IUPAC(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one
SMILESC=C=C(c1ccccc1)[C@@H](O)[C@H]1[C@@H](OC)C(=O)N1CC=C
InChIInChI=1S/C17H19NO3/c1-4-11-18-14(16(21-3)17(18)20)15(19)13(5-2)12-9-7-6-8-10-12/h4,6-10,14-16,19H,1-2,11H2,3H3/t14-,15+,16+/m0/s1
InChIKeyPHCUIGDMNKAIKV-ARFHVFGLSA-N
MW285.34 g/mol
LogP1.63
Rot. Bonds6

About (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one

(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one (PubChem CID 11196901) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one
PubChem CID11196901
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one
SMILESC=C=C(c1ccccc1)[C@@H](O)[C@H]1[C@@H](OC)C(=O)N1CC=C
InChIInChI=1S/C17H19NO3/c1-4-11-18-14(16(21-3)17(18)20)15(19)13(5-2)12-9-7-6-8-10-12/h4,6-10,14-16,19H,1-2,11H2,3H3/t14-,15+,16+/m0/s1
InChIKeyPHCUIGDMNKAIKV-ARFHVFGLSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.63
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-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one (CID 11196901) is (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one is C=C=C(c1ccccc1)[C@@H](O)[C@H]1[C@@H](OC)C(=O)N1CC=C.
What is the InChIKey of (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is PHCUIGDMNKAIKV-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-11-18-14(16(21-3)17(18)20)15(19)13(5-2)12-9-7-6-8-10-12/h4,6-10,14-16,19H,1-2,11H2,3H3/t14-,15+,16+/m0/s1.
What are the key properties of (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 285.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(1R)-1-hydroxy-2-phenylbuta-2,3-dienyl]-3-methoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11196901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).