[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane

C21H20NP — CID 10881653

IUPAC[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane
SMILESc1ccc(C[C@H]2CN2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20NP/c1-4-10-18(11-5-1)16-19-17-22(19)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2/t19-,22?/m0/s1
InChIKeyRVIWNBRZPUULJG-YDNXMHBPSA-N
MW317.37 g/mol
LogP3.96
Rot. Bonds5

About [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane

[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane (PubChem CID 10881653) has the molecular formula C21H20NP and a molecular weight of 317.37 g/mol. Its IUPAC name is [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane
PubChem CID10881653
Molecular FormulaC21H20NP
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane
SMILESc1ccc(C[C@H]2CN2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20NP/c1-4-10-18(11-5-1)16-19-17-22(19)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2/t19-,22?/m0/s1
InChIKeyRVIWNBRZPUULJG-YDNXMHBPSA-N
XLogP3.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-benzyl-1-phenylazetidine
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[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
(2S)-2-benzyl-1-tert-butylsulfonylaziridine
CID 102284684
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(5-benzyl-1-methylpyrrolidin-3-yl)methanamine
CID 83855321
2-benzyl-1-octylaziridine
CID 102467094
2-benzyl-1,5-dimethylpiperazine
CID 64844005
6-benzyl-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 73319659

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane?
The IUPAC name of [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane (CID 10881653) is [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane.
What is the SMILES notation for [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane?
The canonical SMILES for [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane is c1ccc(C[C@H]2CN2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane?
The InChIKey is RVIWNBRZPUULJG-YDNXMHBPSA-N. The full InChI is InChI=1S/C21H20NP/c1-4-10-18(11-5-1)16-19-17-22(19)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17H2/t19-,22?/m0/s1.
What are the key properties of [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane?
[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane has a molecular weight of 317.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzylaziridin-1-yl]-diphenylphosphane is sourced from PubChem (CID 10881653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).