(2S)-2-butyl-1-diphenylphosphorylaziridine

C18H22NOP — CID 154729543

IUPAC(2S)-2-butyl-1-diphenylphosphorylaziridine
SMILESCCCC[C@H]1CN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-2-3-10-16-15-19(16)21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3/t16-,19?/m0/s1
InChIKeyIRQIEPINDRBONN-UCFFOFKASA-N
MW299.35 g/mol
LogP3.79
Rot. Bonds6

About (2S)-2-butyl-1-diphenylphosphorylaziridine

(2S)-2-butyl-1-diphenylphosphorylaziridine (PubChem CID 154729543) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (2S)-2-butyl-1-diphenylphosphorylaziridine.

Molecular Properties

Compound Name(2S)-2-butyl-1-diphenylphosphorylaziridine
PubChem CID154729543
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2S)-2-butyl-1-diphenylphosphorylaziridine
SMILESCCCC[C@H]1CN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-2-3-10-16-15-19(16)21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3/t16-,19?/m0/s1
InChIKeyIRQIEPINDRBONN-UCFFOFKASA-N
XLogP3.79
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.79
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,4S)-1-diphenylphosphoryl-2,4-dimethylpyrrolidine
CID 101063072
1-diphenylphosphoryl-3-pentyl-2-propyl-2H-imidazole
CID 175168108
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
(1S)-2-diphenylphosphoryl-1-ethyl-3,4-dihydro-1H-isoquinoline
CID 101474791
1-diphenylphosphoryl-4-ethylpiperazine
CID 20795265
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
4-diphenylphosphoryl-2,6-dimethylmorpholine
CID 10567336
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
CID 102045763
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-1-diphenylphosphorylaziridine?
The IUPAC name of (2S)-2-butyl-1-diphenylphosphorylaziridine (CID 154729543) is (2S)-2-butyl-1-diphenylphosphorylaziridine.
What is the SMILES notation for (2S)-2-butyl-1-diphenylphosphorylaziridine?
The canonical SMILES for (2S)-2-butyl-1-diphenylphosphorylaziridine is CCCC[C@H]1CN1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-butyl-1-diphenylphosphorylaziridine?
The InChIKey is IRQIEPINDRBONN-UCFFOFKASA-N. The full InChI is InChI=1S/C18H22NOP/c1-2-3-10-16-15-19(16)21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3/t16-,19?/m0/s1.
What are the key properties of (2S)-2-butyl-1-diphenylphosphorylaziridine?
(2S)-2-butyl-1-diphenylphosphorylaziridine has a molecular weight of 299.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-1-diphenylphosphorylaziridine is sourced from PubChem (CID 154729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).