6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine

C9H13NO2 — CID 140784054

IUPAC6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine
SMILESC=CC1=NCCC(OC)=C1OC
InChIInChI=1S/C9H13NO2/c1-4-7-9(12-3)8(11-2)5-6-10-7/h4H,1,5-6H2,2-3H3
InChIKeyVNONMYRMRNRJOB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.52
Rot. Bonds3

About 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine

6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine (PubChem CID 140784054) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine
PubChem CID140784054
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine
SMILESC=CC1=NCCC(OC)=C1OC
InChIInChI=1S/C9H13NO2/c1-4-7-9(12-3)8(11-2)5-6-10-7/h4H,1,5-6H2,2-3H3
InChIKeyVNONMYRMRNRJOB-UHFFFAOYSA-N
XLogP1.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethenyl-5-methoxy-2,3-dihydropyridine
CID 140784052
2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
CID 143182598
4-Methoxy-3,6-dimethyl-2,3-dihydropyridine
CID 152997591
(3E)-N-ethyl-3-methoxyhexa-3,5-dien-2-imine
CID 169559874
(4-Cyanoimino-2,3-dimethoxycyclohexa-2,5-dien-1-ylidene)cyanamide
CID 21582429
(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313445

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine?
The IUPAC name of 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine (CID 140784054) is 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine.
What is the SMILES notation for 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine?
The canonical SMILES for 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine is C=CC1=NCCC(OC)=C1OC.
What is the InChIKey of 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine?
The InChIKey is VNONMYRMRNRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-7-9(12-3)8(11-2)5-6-10-7/h4H,1,5-6H2,2-3H3.
What are the key properties of 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine?
6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine has a molecular weight of 167.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4,5-dimethoxy-2,3-dihydropyridine is sourced from PubChem (CID 140784054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).