6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene

C12H14N2 — CID 13069053

IUPAC6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2CC(c3ccccc3)=NN21
InChIInChI=1S/C12H14N2/c1-12(2)11-8-10(13-14(11)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyLZWSFWLWBIKGJY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.26
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene

6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene (PubChem CID 13069053) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene
PubChem CID13069053
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2CC(c3ccccc3)=NN21
InChIInChI=1S/C12H14N2/c1-12(2)11-8-10(13-14(11)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyLZWSFWLWBIKGJY-UHFFFAOYSA-N
XLogP2.26
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 98769083
(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
CID 134916558
2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclododecane]
CID 3324617
5',5'-dimethyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol
CID 5189167
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
CID 7570848
2-(4-bromophenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 5095100
2-phenyl-1'-propan-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 3550996
(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
CID 7628458
(5R,10bR)-5-methyl-5-(4-nitrophenyl)-2-(4-phenylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 25358174
1-(2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone
CID 3762157
(3'R,5S,10bR)-3'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 98327894

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene?
The IUPAC name of 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene (CID 13069053) is 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene is CC1(C)C2CC(c3ccccc3)=NN21.
What is the InChIKey of 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene?
The InChIKey is LZWSFWLWBIKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-12(2)11-8-10(13-14(11)12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene?
6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene has a molecular weight of 186.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-1,2-diazabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 13069053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).