(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one

C19H27NO2 — CID 146899089

IUPAC(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one
SMILESCCCC=CCN1C(=O)C[C@@H]1c1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C19H27NO2/c1-4-5-6-7-12-20-17(13-18(20)22)15-8-10-16(11-9-15)19(2,3)14-21/h6-11,17,21H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyGYRGEVOXBQZFBZ-QGZVFWFLSA-N
MW301.43 g/mol
LogP3.59
Rot. Bonds7

About (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one

(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one (PubChem CID 146899089) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one
PubChem CID146899089
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one
SMILESCCCC=CCN1C(=O)C[C@@H]1c1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C19H27NO2/c1-4-5-6-7-12-20-17(13-18(20)22)15-8-10-16(11-9-15)19(2,3)14-21/h6-11,17,21H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyGYRGEVOXBQZFBZ-QGZVFWFLSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one?
The IUPAC name of (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one (CID 146899089) is (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one.
What is the SMILES notation for (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one?
The canonical SMILES for (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one is CCCC=CCN1C(=O)C[C@@H]1c1ccc(C(C)(C)CO)cc1.
What is the InChIKey of (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one?
The InChIKey is GYRGEVOXBQZFBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-5-6-7-12-20-17(13-18(20)22)15-8-10-16(11-9-15)19(2,3)14-21/h6-11,17,21H,4-5,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one?
(4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-hex-2-enyl-4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]azetidin-2-one is sourced from PubChem (CID 146899089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).