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

C9H13N — CID 70266480

IUPAC4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine
SMILESC/C=C\C1=C(C)C=CNC1
InChIInChI=1S/C9H13N/c1-3-4-9-7-10-6-5-8(9)2/h3-6,10H,7H2,1-2H3/b4-3-
InChIKeyJLUNAOKCENLVIY-ARJAWSKDSA-N
MW135.21 g/mol
LogP2.00
Rot. Bonds1

About 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine

4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine (PubChem CID 70266480) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine
PubChem CID70266480
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine
SMILESC/C=C\C1=C(C)C=CNC1
InChIInChI=1S/C9H13N/c1-3-4-9-7-10-6-5-8(9)2/h3-6,10H,7H2,1-2H3/b4-3-
InChIKeyJLUNAOKCENLVIY-ARJAWSKDSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine (CID 70266480) is 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine is C/C=C\C1=C(C)C=CNC1.
What is the InChIKey of 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The InChIKey is JLUNAOKCENLVIY-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-7-10-6-5-8(9)2/h3-6,10H,7H2,1-2H3/b4-3-.
What are the key properties of 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine is sourced from PubChem (CID 70266480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).