2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen

C9H13N — CID 144650380

IUPAC2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen
SMILESC/C=C/c1ccnc(C)c1.[H][H]
InChIInChI=1S/C9H11N.H2/c1-3-4-9-5-6-10-8(2)7-9;/h3-7H,1-2H3;1H/b4-3+;
InChIKeyNXPLBDVTZSAUNE-BJILWQEISA-N
MW135.21 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen

2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen (PubChem CID 144650380) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen
PubChem CID144650380
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen
SMILESC/C=C/c1ccnc(C)c1.[H][H]
InChIInChI=1S/C9H11N.H2/c1-3-4-9-5-6-10-8(2)7-9;/h3-7H,1-2H3;1H/b4-3+;
InChIKeyNXPLBDVTZSAUNE-BJILWQEISA-N
XLogP2.67
TPSA12.89 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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen?
The IUPAC name of 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen (CID 144650380) is 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen.
What is the SMILES notation for 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen?
The canonical SMILES for 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen is C/C=C/c1ccnc(C)c1.[H][H].
What is the InChIKey of 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen?
The InChIKey is NXPLBDVTZSAUNE-BJILWQEISA-N. The full InChI is InChI=1S/C9H11N.H2/c1-3-4-9-5-6-10-8(2)7-9;/h3-7H,1-2H3;1H/b4-3+;.
What are the key properties of 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen?
2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen has a molecular weight of 135.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen is sourced from PubChem (CID 144650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).