(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one

C16H21NO2 — CID 58014304

IUPAC(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one
SMILESCCC/C=C\CN1C(=O)C[C@@H]1COc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-3-4-8-11-17-14(12-16(17)18)13-19-15-9-6-5-7-10-15/h4-10,14H,2-3,11-13H2,1H3/b8-4-/t14-/m1/s1
InChIKeyIWUVFZUCMPEGMZ-SMGNDMQFSA-N
MW259.35 g/mol
LogP3.02
Rot. Bonds7

About (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one

(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one (PubChem CID 58014304) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one
PubChem CID58014304
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one
SMILESCCC/C=C\CN1C(=O)C[C@@H]1COc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-3-4-8-11-17-14(12-16(17)18)13-19-15-9-6-5-7-10-15/h4-10,14H,2-3,11-13H2,1H3/b8-4-/t14-/m1/s1
InChIKeyIWUVFZUCMPEGMZ-SMGNDMQFSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
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-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one?
The IUPAC name of (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one (CID 58014304) is (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one.
What is the SMILES notation for (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one?
The canonical SMILES for (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one is CCC/C=C\CN1C(=O)C[C@@H]1COc1ccccc1.
What is the InChIKey of (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one?
The InChIKey is IWUVFZUCMPEGMZ-SMGNDMQFSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-4-8-11-17-14(12-16(17)18)13-19-15-9-6-5-7-10-15/h4-10,14H,2-3,11-13H2,1H3/b8-4-/t14-/m1/s1.
What are the key properties of (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one?
(4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(Z)-hex-2-enyl]-4-(phenoxymethyl)azetidin-2-one is sourced from PubChem (CID 58014304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).