(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol

C18H19NO — CID 122372363

IUPAC(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
SMILESC=CCN1[C@H]([C@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-13-19-16(14-9-5-3-6-10-14)17(19)18(20)15-11-7-4-8-12-15/h2-12,16-18,20H,1,13H2/t16-,17+,18-,19?/m1/s1
InChIKeyBAPWBAAGRQITGC-MHYDHLEJSA-N
MW265.36 g/mol
LogP3.33
Rot. Bonds5

About (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol

(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol (PubChem CID 122372363) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
PubChem CID122372363
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
SMILESC=CCN1[C@H]([C@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-13-19-16(14-9-5-3-6-10-14)17(19)18(20)15-11-7-4-8-12-15/h2-12,16-18,20H,1,13H2/t16-,17+,18-,19?/m1/s1
InChIKeyBAPWBAAGRQITGC-MHYDHLEJSA-N
XLogP3.33
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol?
The IUPAC name of (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol (CID 122372363) is (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol?
The canonical SMILES for (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol is C=CCN1[C@H]([C@H](O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol?
The InChIKey is BAPWBAAGRQITGC-MHYDHLEJSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-13-19-16(14-9-5-3-6-10-14)17(19)18(20)15-11-7-4-8-12-15/h2-12,16-18,20H,1,13H2/t16-,17+,18-,19?/m1/s1.
What are the key properties of (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol?
(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol is sourced from PubChem (CID 122372363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).