4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine

C13H15N — CID 145110629

IUPAC4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine
SMILESCC1CN=CC=C1C1=CC=CC2CC12
InChIInChI=1S/C13H15N/c1-9-8-14-6-5-11(9)12-4-2-3-10-7-13(10)12/h2-6,9-10,13H,7-8H2,1H3
InChIKeySMLRMTIFSDQQBY-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.77
Rot. Bonds1

About 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine

4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine (PubChem CID 145110629) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine
PubChem CID145110629
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine
SMILESCC1CN=CC=C1C1=CC=CC2CC12
InChIInChI=1S/C13H15N/c1-9-8-14-6-5-11(9)12-4-2-3-10-7-13(10)12/h2-6,9-10,13H,7-8H2,1H3
InChIKeySMLRMTIFSDQQBY-UHFFFAOYSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methyl-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
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1,2,3,4,8,9,10,10a-Octahydronaphth[1,8-cd]azepine
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5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
CID 90839723
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4-(4-Methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
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3-(Cyclohexen-1-yl)-2,3-dihydropyridine
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2-Cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine
CID 138467804
2-[(2E,4Z)-2,3-dimethylhexa-2,4-dienyl]-5-(2-methylbutyl)-3,4-dihydro-2H-azepine
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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine?
The IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine (CID 145110629) is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine is CC1CN=CC=C1C1=CC=CC2CC12.
What is the InChIKey of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine?
The InChIKey is SMLRMTIFSDQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-8-14-6-5-11(9)12-4-2-3-10-7-13(10)12/h2-6,9-10,13H,7-8H2,1H3.
What are the key properties of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine?
4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 145110629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).