7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene

C13H16N2 — CID 123351395

IUPAC7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
SMILESCC1C=NC(=C2C3=CCC=NC32)C(C)C1
InChIInChI=1S/C13H16N2/c1-8-6-9(2)12(15-7-8)11-10-4-3-5-14-13(10)11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyNGJKKSRPGNAQIV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.77
Rot. Bonds

About 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene

7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene (PubChem CID 123351395) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene.

Molecular Properties

Compound Name7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
PubChem CID123351395
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
SMILESCC1C=NC(=C2C3=CCC=NC32)C(C)C1
InChIInChI=1S/C13H16N2/c1-8-6-9(2)12(15-7-8)11-10-4-3-5-14-13(10)11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyNGJKKSRPGNAQIV-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene with MolForge

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Related Compounds

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CID 142271471
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CID 143408640
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CID 170195867
N,2-dimethyl-N'-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)pentane-1,5-diimine
CID 142967496

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene?
The IUPAC name of 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene (CID 123351395) is 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene.
What is the SMILES notation for 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene?
The canonical SMILES for 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene is CC1C=NC(=C2C3=CCC=NC32)C(C)C1.
What is the InChIKey of 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene?
The InChIKey is NGJKKSRPGNAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-6-9(2)12(15-7-8)11-10-4-3-5-14-13(10)11/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene?
7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene has a molecular weight of 200.28 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene is sourced from PubChem (CID 123351395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).