5-methyl-2-prop-2-enyl-2,3-dihydropyridine

C9H13N — CID 89419790

IUPAC5-methyl-2-prop-2-enyl-2,3-dihydropyridine
SMILESC=CCC1CC=C(C)C=N1
InChIInChI=1S/C9H13N/c1-3-4-9-6-5-8(2)7-10-9/h3,5,7,9H,1,4,6H2,2H3
InChIKeyNTPZQKAATZBQLK-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-2-prop-2-enyl-2,3-dihydropyridine

5-methyl-2-prop-2-enyl-2,3-dihydropyridine (PubChem CID 89419790) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-2-prop-2-enyl-2,3-dihydropyridine
PubChem CID89419790
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methyl-2-prop-2-enyl-2,3-dihydropyridine
SMILESC=CCC1CC=C(C)C=N1
InChIInChI=1S/C9H13N/c1-3-4-9-6-5-8(2)7-10-9/h3,5,7,9H,1,4,6H2,2H3
InChIKeyNTPZQKAATZBQLK-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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 5-methyl-2-prop-2-enyl-2,3-dihydropyridine?
The IUPAC name of 5-methyl-2-prop-2-enyl-2,3-dihydropyridine (CID 89419790) is 5-methyl-2-prop-2-enyl-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-2-prop-2-enyl-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-2-prop-2-enyl-2,3-dihydropyridine is C=CCC1CC=C(C)C=N1.
What is the InChIKey of 5-methyl-2-prop-2-enyl-2,3-dihydropyridine?
The InChIKey is NTPZQKAATZBQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-6-5-8(2)7-10-9/h3,5,7,9H,1,4,6H2,2H3.
What are the key properties of 5-methyl-2-prop-2-enyl-2,3-dihydropyridine?
5-methyl-2-prop-2-enyl-2,3-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enyl-2,3-dihydropyridine is sourced from PubChem (CID 89419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).