5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine

C13H17NO — CID 71034642

IUPAC5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine
SMILESCOC1=CCC(C2=CN=C(C)CC2)C=C1
InChIInChI=1S/C13H17NO/c1-10-3-4-12(9-14-10)11-5-7-13(15-2)8-6-11/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyAHQMFWDHONKTJF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine

5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine (PubChem CID 71034642) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine
PubChem CID71034642
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine
SMILESCOC1=CCC(C2=CN=C(C)CC2)C=C1
InChIInChI=1S/C13H17NO/c1-10-3-4-12(9-14-10)11-5-7-13(15-2)8-6-11/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyAHQMFWDHONKTJF-UHFFFAOYSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 89020347
(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine
CID 90443549
6-(4-methoxycyclohexa-2,4-dien-1-yl)-N-propan-2-ylhept-5-en-2-imine
CID 91201251
5-methoxy-2-propyl-3a,7a-dihydro-3H-indole
CID 91509436
2-(4-Ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine
CID 123759250
5-Tert-butyl-10-methoxy-4-azatricyclo[5.4.0.01,6]undeca-2,4,8,10-tetraene
CID 130457266
6-Methoxy-1-methyl-4a,8a-dihydroisoquinoline
CID 164042760
6-Methoxy-4-propan-2-yl-4,4a-dihydroquinoline
CID 169572145
2-(2-methoxy-4,6-dimethylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
CID 177234862
2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
CID 177235406

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine?
The IUPAC name of 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine (CID 71034642) is 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine is COC1=CCC(C2=CN=C(C)CC2)C=C1.
What is the InChIKey of 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine?
The InChIKey is AHQMFWDHONKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-3-4-12(9-14-10)11-5-7-13(15-2)8-6-11/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine?
5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine has a molecular weight of 203.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 71034642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).