2-methyl-5-prop-2-enyl-1,2-dihydropyridine

C9H13N — CID 66634952

IUPAC2-methyl-5-prop-2-enyl-1,2-dihydropyridine
SMILESC=CCC1=CNC(C)C=C1
InChIInChI=1S/C9H13N/c1-3-4-9-6-5-8(2)10-7-9/h3,5-8,10H,1,4H2,2H3
InChIKeyGUNZXGFUKFQRJN-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.99
Rot. Bonds2

About 2-methyl-5-prop-2-enyl-1,2-dihydropyridine

2-methyl-5-prop-2-enyl-1,2-dihydropyridine (PubChem CID 66634952) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-prop-2-enyl-1,2-dihydropyridine
PubChem CID66634952
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-methyl-5-prop-2-enyl-1,2-dihydropyridine
SMILESC=CCC1=CNC(C)C=C1
InChIInChI=1S/C9H13N/c1-3-4-9-6-5-8(2)10-7-9/h3,5-8,10H,1,4H2,2H3
InChIKeyGUNZXGFUKFQRJN-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-enyl-1,2-dihydropyridine?
The IUPAC name of 2-methyl-5-prop-2-enyl-1,2-dihydropyridine (CID 66634952) is 2-methyl-5-prop-2-enyl-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-5-prop-2-enyl-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-5-prop-2-enyl-1,2-dihydropyridine is C=CCC1=CNC(C)C=C1.
What is the InChIKey of 2-methyl-5-prop-2-enyl-1,2-dihydropyridine?
The InChIKey is GUNZXGFUKFQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-6-5-8(2)10-7-9/h3,5-8,10H,1,4H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enyl-1,2-dihydropyridine?
2-methyl-5-prop-2-enyl-1,2-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enyl-1,2-dihydropyridine is sourced from PubChem (CID 66634952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).