1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol

C14H17NO — CID 101353403

IUPAC1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol
SMILESC=CCN1[C@H](C(O)C=C)[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-10-15-13(14(15)12(16)4-2)11-8-6-5-7-9-11/h3-9,12-14,16H,1-2,10H2/t12?,13-,14+,15?/m0/s1
InChIKeyIHMOABZOBZANOX-RAFNIBEQSA-N
MW215.30 g/mol
LogP2.14
Rot. Bonds5

About 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol

1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol (PubChem CID 101353403) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol
PubChem CID101353403
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol
SMILESC=CCN1[C@H](C(O)C=C)[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-10-15-13(14(15)12(16)4-2)11-8-6-5-7-9-11/h3-9,12-14,16H,1-2,10H2/t12?,13-,14+,15?/m0/s1
InChIKeyIHMOABZOBZANOX-RAFNIBEQSA-N
XLogP2.14
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol 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

(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
CID 122372363
(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
CID 102383033
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
3-phenyl-1-prop-2-enylazetidine
CID 23632
4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
CID 67652327
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
(2S,3R,6S)-2-ethenyl-3-methyl-6-phenyl-1-prop-2-enylpiperidin-4-one
CID 101181670
(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
CID 11241219
(3aR,4S,7R,7aS)-4,7-diphenyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 691934
(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
CID 122372888
ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate
CID 132536644

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol?
The IUPAC name of 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol (CID 101353403) is 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol is C=CCN1[C@H](C(O)C=C)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol?
The InChIKey is IHMOABZOBZANOX-RAFNIBEQSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-10-15-13(14(15)12(16)4-2)11-8-6-5-7-9-11/h3-9,12-14,16H,1-2,10H2/t12?,13-,14+,15?/m0/s1.
What are the key properties of 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol?
1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-phenyl-1-prop-2-enylaziridin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 101353403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).