N-allyl-1,2-dihydropyridine

C8H11N — CID 19829269

IUPAC1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC=CC=C1
InChIInChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-5,7H,1,6,8H2
InChIKeyWVZXESAAWZSAEA-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.90
Rot. Bonds2

About N-allyl-1,2-dihydropyridine

N-allyl-1,2-dihydropyridine (PubChem CID 19829269) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound NameN-allyl-1,2-dihydropyridine
PubChem CID19829269
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC=CC=C1
InChIInChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-5,7H,1,6,8H2
InChIKeyWVZXESAAWZSAEA-UHFFFAOYSA-N
XLogP1.90
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 2-(1Z)-1-buten-1-yl-
CID 56972623
4H-Quinolizine
CID 9548687
1-Methyl-1,2-dihydropyridine
CID 12565502
2-Fluoro-1-methylpyridine
CID 20165927
n-Vinyl pyridine
CID 12371303
1-Allyl-2-pyridinethione
CID 12678666
N-methyl-2-methylidenepyridine
CID 14963017
1-methylidene-2H-pyridin-1-ium
CID 17819782
n-Butylpyridine
CID 17938176
1-Ethylpyridine
CID 18172714
N-isopropylpyridine
CID 18505181
1-Butyl-1-methylpyridinium chloride
CID 19979781

Frequently Asked Questions

What is the IUPAC name of N-allyl-1,2-dihydropyridine?
The IUPAC name of N-allyl-1,2-dihydropyridine (CID 19829269) is 1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for N-allyl-1,2-dihydropyridine?
The canonical SMILES for N-allyl-1,2-dihydropyridine is C=CCN1CC=CC=C1.
What is the InChIKey of N-allyl-1,2-dihydropyridine?
The InChIKey is WVZXESAAWZSAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-5,7H,1,6,8H2.
What are the key properties of N-allyl-1,2-dihydropyridine?
N-allyl-1,2-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-allyl-1,2-dihydropyridine is sourced from PubChem (CID 19829269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).