4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine

C12H15N — CID 174326072

IUPAC4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CCCC=C1C1C=CN=CC1
InChIInChI=1S/C12H15N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h4-6,8-9,11H,2-3,7H2,1H3
InChIKeyMEYXYLMZWUFSMK-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.26
Rot. Bonds1

About 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine

4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine (PubChem CID 174326072) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine
PubChem CID174326072
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CCCC=C1C1C=CN=CC1
InChIInChI=1S/C12H15N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h4-6,8-9,11H,2-3,7H2,1H3
InChIKeyMEYXYLMZWUFSMK-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-4a,6-dimethyl-5H-isoquinoline
CID 176695103
5,5a-dihydro-4H-2-benzazepine
CID 18435514
4,8-Dihydroisoquinoline
CID 57298362
6,7-Dimethyl-4a,5,8,8a-tetrahydroisoquinoline
CID 57614232
7,8-Dimethyl-4a,5,6,8a-tetrahydroisoquinoline
CID 57614236
2,5-dimethyl-3-(2-methylpropyl)-3H-azepine
CID 67560504
8,8a-Dihydroisoquinoline
CID 68024586
4-Propyl-3,4-dihydropyridine
CID 68028727
2-Methyl-4,4a-dihydroisoquinolin-2-ium
CID 68091391
3-Cyclohexa-1,5-dien-1-yl-3,4-dihydropyridine
CID 68306360
(4S)-1,4-dimethyl-4,4a-dihydroisoquinoline
CID 68330512
4,4a-Dihydroisoquinoline
CID 68360391

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine?
The IUPAC name of 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine (CID 174326072) is 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine is CC1=CCCC=C1C1C=CN=CC1.
What is the InChIKey of 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine?
The InChIKey is MEYXYLMZWUFSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h4-6,8-9,11H,2-3,7H2,1H3.
What are the key properties of 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine?
4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 174326072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).