(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane

C15H13N — CID 134895589

IUPAC(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
SMILESc1ccc([C@H]2N3C[C@]23c2ccccc2)cc1
InChIInChI=1S/C15H13N/c1-3-7-12(8-4-1)14-15(11-16(14)15)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-,15+,16?/m1/s1
InChIKeyIEZSKPAWRAPGPK-YSPPHNQVSA-N
MW207.28 g/mol
LogP2.95
Rot. Bonds2

About (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane

(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane (PubChem CID 134895589) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
PubChem CID134895589
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
SMILESc1ccc([C@H]2N3C[C@]23c2ccccc2)cc1
InChIInChI=1S/C15H13N/c1-3-7-12(8-4-1)14-15(11-16(14)15)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-,15+,16?/m1/s1
InChIKeyIEZSKPAWRAPGPK-YSPPHNQVSA-N
XLogP2.95
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139091926
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
CID 12547279
(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917
(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane
CID 70215581
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,12R)-14-benzyl-12-phenyl-8,10,14-triazapentacyclo[7.7.0.01,13.02,7.010,12]hexadeca-2,4,6-triene
CID 24997591
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362456
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane?
The IUPAC name of (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane (CID 134895589) is (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane is c1ccc([C@H]2N3C[C@]23c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane?
The InChIKey is IEZSKPAWRAPGPK-YSPPHNQVSA-N. The full InChI is InChI=1S/C15H13N/c1-3-7-12(8-4-1)14-15(11-16(14)15)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-,15+,16?/m1/s1.
What are the key properties of (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane?
(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane has a molecular weight of 207.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 134895589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).