(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine

C19H21N — CID 139263960

IUPAC(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine
SMILESC=CCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H21N/c1-3-4-15-19(2)18(16-11-7-5-8-12-16)20(19)17-13-9-6-10-14-17/h3,5-14,18H,1,4,15H2,2H3/t18-,19-,20?/m1/s1
InChIKeyATIHAPFVBRNPBV-LEAGNCFPSA-N
MW263.38 g/mol
LogP4.97
Rot. Bonds5

About (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine

(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine (PubChem CID 139263960) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine
PubChem CID139263960
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine
SMILESC=CCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H21N/c1-3-4-15-19(2)18(16-11-7-5-8-12-16)20(19)17-13-9-6-10-14-17/h3,5-14,18H,1,4,15H2,2H3/t18-,19-,20?/m1/s1
InChIKeyATIHAPFVBRNPBV-LEAGNCFPSA-N
XLogP4.97
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
CID 15531693
(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
CID 71378075
2-chloro-2-fluoro-1,3-diphenylaziridine
CID 23265826
(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one
CID 23649698
1-(2-but-3-enyloxiran-2-yl)-N-(2-phenylaziridin-1-yl)methanimine
CID 71447104
tert-butyl-[(2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-prop-2-enylaziridin-2-yl]-dimethylsilane
CID 134984632
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
CID 10354669
(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine
CID 15531699
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
(2R,3R)-3-ethenyl-1,2-diphenylazetidine
CID 102111055
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine?
The IUPAC name of (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine (CID 139263960) is (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine.
What is the SMILES notation for (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine?
The canonical SMILES for (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine is C=CCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine?
The InChIKey is ATIHAPFVBRNPBV-LEAGNCFPSA-N. The full InChI is InChI=1S/C19H21N/c1-3-4-15-19(2)18(16-11-7-5-8-12-16)20(19)17-13-9-6-10-14-17/h3,5-14,18H,1,4,15H2,2H3/t18-,19-,20?/m1/s1.
What are the key properties of (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine?
(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine has a molecular weight of 263.38 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine is sourced from PubChem (CID 139263960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).