(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one

C8H13NO2 — CID 13132525

IUPAC(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
SMILESC=CC[C@H]1NC(=O)[C@@H]1[C@@H](C)O
InChIInChI=1S/C8H13NO2/c1-3-4-6-7(5(2)10)8(11)9-6/h3,5-7,10H,1,4H2,2H3,(H,9,11)/t5-,6-,7-/m1/s1
InChIKeyVWRIIPBNDAYCLD-FSDSQADBSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds3

About (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one

(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one (PubChem CID 13132525) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
PubChem CID13132525
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
SMILESC=CC[C@H]1NC(=O)[C@@H]1[C@@H](C)O
InChIInChI=1S/C8H13NO2/c1-3-4-6-7(5(2)10)8(11)9-6/h3,5-7,10H,1,4H2,2H3,(H,9,11)/t5-,6-,7-/m1/s1
InChIKeyVWRIIPBNDAYCLD-FSDSQADBSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
CID 13374060
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
CID 55303809
(3S,4S)-3-(2-hydroxypropan-2-yl)-4-prop-2-enylazetidin-2-one
CID 70510791
3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one
CID 173344404
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
CID 55302117
2-[(2S,3R)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279308
2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279299
prop-2-enyl (3R)-3-[(E)-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
CID 67792535
prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
CID 57158414
4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 155329818
1-[4-[2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-3-methylimidazolidin-2-one
CID 71038680
Sodium 5-(2-propen-1-yl)-barbiturate
CID 53471053

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one (CID 13132525) is (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one is C=CC[C@H]1NC(=O)[C@@H]1[C@@H](C)O.
What is the InChIKey of (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one?
The InChIKey is VWRIIPBNDAYCLD-FSDSQADBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-6-7(5(2)10)8(11)9-6/h3,5-7,10H,1,4H2,2H3,(H,9,11)/t5-,6-,7-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one?
(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one is sourced from PubChem (CID 13132525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).