6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine

C9H13N — CID 89357708

IUPAC6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine
SMILESC/C=C\C1=CCCN=C1C
InChIInChI=1S/C9H13N/c1-3-5-9-6-4-7-10-8(9)2/h3,5-6H,4,7H2,1-2H3/b5-3-
InChIKeyJIQCRQYXARJSBG-HYXAFXHYSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds1

About 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine

6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine (PubChem CID 89357708) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine
PubChem CID89357708
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine
SMILESC/C=C\C1=CCCN=C1C
InChIInChI=1S/C9H13N/c1-3-5-9-6-4-7-10-8(9)2/h3,5-6H,4,7H2,1-2H3/b5-3-
InChIKeyJIQCRQYXARJSBG-HYXAFXHYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine?
The IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine (CID 89357708) is 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine.
What is the SMILES notation for 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine?
The canonical SMILES for 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine is C/C=C\C1=CCCN=C1C.
What is the InChIKey of 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine?
The InChIKey is JIQCRQYXARJSBG-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-9-6-4-7-10-8(9)2/h3,5-6H,4,7H2,1-2H3/b5-3-.
What are the key properties of 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine?
6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridine is sourced from PubChem (CID 89357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).