3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine

C13H15N — CID 143532467

IUPAC3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine
SMILESCC1=CC2CC2(C2C=NC=CC2)C=C1
InChIInChI=1S/C13H15N/c1-10-4-5-13(8-12(13)7-10)11-3-2-6-14-9-11/h2,4-7,9,11-12H,3,8H2,1H3
InChIKeyOIXSCDOASSUAGG-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.11
Rot. Bonds1

About 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine

3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine (PubChem CID 143532467) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine
PubChem CID143532467
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine
SMILESCC1=CC2CC2(C2C=NC=CC2)C=C1
InChIInChI=1S/C13H15N/c1-10-4-5-13(8-12(13)7-10)11-3-2-6-14-9-11/h2,4-7,9,11-12H,3,8H2,1H3
InChIKeyOIXSCDOASSUAGG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine?
The IUPAC name of 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine (CID 143532467) is 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine.
What is the SMILES notation for 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine?
The canonical SMILES for 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine is CC1=CC2CC2(C2C=NC=CC2)C=C1.
What is the InChIKey of 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine?
The InChIKey is OIXSCDOASSUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-4-5-13(8-12(13)7-10)11-3-2-6-14-9-11/h2,4-7,9,11-12H,3,8H2,1H3.
What are the key properties of 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine?
3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3,4-dihydropyridine is sourced from PubChem (CID 143532467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).