(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen

C13H19N — CID 143290489

IUPAC(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen
SMILESCC1=CC=C([C@]23CNCC2C3)C2CC12.[H][H]
InChIInChI=1S/C13H17N.H2/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13;/h2-3,9-11,14H,4-7H2,1H3;1H/t9?,10?,11?,13-;/m1./s1
InChIKeyYKFCXTQEPAUQAL-SPZBZESPSA-N
MW189.30 g/mol
LogP2.36
Rot. Bonds1

About (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen

(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen (PubChem CID 143290489) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen.

Molecular Properties

Compound Name(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen
PubChem CID143290489
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen
SMILESCC1=CC=C([C@]23CNCC2C3)C2CC12.[H][H]
InChIInChI=1S/C13H17N.H2/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13;/h2-3,9-11,14H,4-7H2,1H3;1H/t9?,10?,11?,13-;/m1./s1
InChIKeyYKFCXTQEPAUQAL-SPZBZESPSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen with MolForge

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Related Compounds

(1S,5R)-1-(5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 137539808
1-[4-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 162552408
1-[4-Fluoro-5-(trifluoromethyl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]-3-azabicyclo[3.1.0]hexane
CID 163579418
3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine
CID 88941213
5,6-Dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene
CID 89126392
2-(1-Methylcyclohexa-2,4-dien-1-yl)-8-azabicyclo[3.2.1]octane
CID 140080173
4-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane
CID 142165813
4-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
CID 142165814
4-(1-Bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine
CID 142275876
3',5-Dimethylspiro[4,5-dihydroindene-3,4'-piperidine]
CID 142892716
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-azabicyclo[3.1.0]hexane
CID 143290447
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-azabicyclo[3.1.0]hexane
CID 143290484

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The IUPAC name of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen (CID 143290489) is (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen.
What is the SMILES notation for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The canonical SMILES for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen is CC1=CC=C([C@]23CNCC2C3)C2CC12.[H][H].
What is the InChIKey of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The InChIKey is YKFCXTQEPAUQAL-SPZBZESPSA-N. The full InChI is InChI=1S/C13H17N.H2/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13;/h2-3,9-11,14H,4-7H2,1H3;1H/t9?,10?,11?,13-;/m1./s1.
What are the key properties of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen has a molecular weight of 189.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen is sourced from PubChem (CID 143290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).