4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine

C12H17N — CID 123503471

IUPAC4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1=CC=C(C2CC=NCC2)CC1
InChIInChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,4,8,12H,3,5-7,9H2,1H3
InChIKeyMNJWUBMCSQNBKY-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.13
Rot. Bonds1

About 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine

4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 123503471) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
PubChem CID123503471
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1=CC=C(C2CC=NCC2)CC1
InChIInChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,4,8,12H,3,5-7,9H2,1H3
InChIKeyMNJWUBMCSQNBKY-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
CID 155485480
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2,5,9,9a-tetrahydro-1H-3-benzazepine
CID 54493788
3-Azabicyclo[5.3.1]undeca-2,7,9-triene
CID 56976839
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
3,4,6,6a,7,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 57100469
(8aS)-1,4,6,7,8,8a-hexahydroisoquinoline
CID 57106728
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine (CID 123503471) is 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine is CC1=CC=C(C2CC=NCC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is MNJWUBMCSQNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2,4,8,12H,3,5-7,9H2,1H3.
What are the key properties of 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 123503471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).