1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine

C9H13N — CID 142996245

IUPAC1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/C1=CCN(C)C=C1
InChIInChI=1S/C9H13N/c1-3-4-9-5-7-10(2)8-6-9/h3-7H,8H2,1-2H3/b4-3+
InChIKeyNCPCWQAFZKWINP-ONEGZZNKSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds1

About 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine

1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine (PubChem CID 142996245) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
PubChem CID142996245
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/C1=CCN(C)C=C1
InChIInChI=1S/C9H13N/c1-3-4-9-5-7-10(2)8-6-9/h3-7H,8H2,1-2H3/b4-3+
InChIKeyNCPCWQAFZKWINP-ONEGZZNKSA-N
XLogP1.95
TPSA3.24 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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine?
The IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine (CID 142996245) is 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine.
What is the SMILES notation for 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine?
The canonical SMILES for 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine is C/C=C/C1=CCN(C)C=C1.
What is the InChIKey of 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine?
The InChIKey is NCPCWQAFZKWINP-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-5-7-10(2)8-6-9/h3-7H,8H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine?
1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine is sourced from PubChem (CID 142996245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).