(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine

C18H19N — CID 15531693

IUPAC(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
SMILESC=CC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H19N/c1-3-14-18(2)17(15-10-6-4-7-11-15)19(18)16-12-8-5-9-13-16/h3-13,17H,1,14H2,2H3/t17-,18-,19?/m1/s1
InChIKeySAKNYSFUOJZMOS-PWCSWUJKSA-N
MW249.36 g/mol
LogP4.58
Rot. Bonds4

About (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine

(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine (PubChem CID 15531693) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
PubChem CID15531693
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
SMILESC=CC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H19N/c1-3-14-18(2)17(15-10-6-4-7-11-15)19(18)16-12-8-5-9-13-16/h3-13,17H,1,14H2,2H3/t17-,18-,19?/m1/s1
InChIKeySAKNYSFUOJZMOS-PWCSWUJKSA-N
XLogP4.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.58
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-but-3-enyl-2-methyl-1,3-diphenylaziridine
CID 139263960
tert-butyl-[(2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-prop-2-enylaziridin-2-yl]-dimethylsilane
CID 134984632
(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
CID 71378075
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
2-chloro-2-fluoro-1,3-diphenylaziridine
CID 23265826
(4S)-1-tert-butyl-2-oxo-4-phenyl-3-prop-2-enylazetidine-3-carbonitrile
CID 171976218
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
methyl (2R,3S)-1-benzoyl-3-phenyl-2-prop-2-enylaziridine-2-carboxylate
CID 10687229
5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
(2,2-dimethyl-3,5-diphenyl-1,3-oxazolidin-4-yl)methanol
CID 123241141
5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67259479

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine?
The IUPAC name of (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine (CID 15531693) is (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine.
What is the SMILES notation for (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine?
The canonical SMILES for (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine is C=CC[C@]1(C)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine?
The InChIKey is SAKNYSFUOJZMOS-PWCSWUJKSA-N. The full InChI is InChI=1S/C18H19N/c1-3-14-18(2)17(15-10-6-4-7-11-15)19(18)16-12-8-5-9-13-16/h3-13,17H,1,14H2,2H3/t17-,18-,19?/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine?
(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine has a molecular weight of 249.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine is sourced from PubChem (CID 15531693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).