4-prop-1-ynyl-2,3-dihydropyridine

C8H9N — CID 142478048

IUPAC4-prop-1-ynyl-2,3-dihydropyridine
SMILESCC#CC1=CC=NCC1
InChIInChI=1S/C8H9N/c1-2-3-8-4-6-9-7-5-8/h4,6H,5,7H2,1H3
InChIKeyNMDVGUHESDRPSF-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.41
Rot. Bonds

About 4-prop-1-ynyl-2,3-dihydropyridine

4-prop-1-ynyl-2,3-dihydropyridine (PubChem CID 142478048) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 4-prop-1-ynyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-prop-1-ynyl-2,3-dihydropyridine
PubChem CID142478048
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name4-prop-1-ynyl-2,3-dihydropyridine
SMILESCC#CC1=CC=NCC1
InChIInChI=1S/C8H9N/c1-2-3-8-4-6-9-7-5-8/h4,6H,5,7H2,1H3
InChIKeyNMDVGUHESDRPSF-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
4-Ethyl-2,3-dihydropyridine
CID 54137700
5-methyl-3H-pyridin-1-ium
CID 57233424
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
(Z)-N,3-dimethylpent-2-en-1-imine
CID 88890782
(E)-N,3-dimethylpent-2-en-1-imine
CID 89181124
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012
N,3-dimethylpent-2-en-1-imine
CID 91072699
Ethane;5-methyl-2,3-dihydropyridine
CID 91099222

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-ynyl-2,3-dihydropyridine?
The IUPAC name of 4-prop-1-ynyl-2,3-dihydropyridine (CID 142478048) is 4-prop-1-ynyl-2,3-dihydropyridine.
What is the SMILES notation for 4-prop-1-ynyl-2,3-dihydropyridine?
The canonical SMILES for 4-prop-1-ynyl-2,3-dihydropyridine is CC#CC1=CC=NCC1.
What is the InChIKey of 4-prop-1-ynyl-2,3-dihydropyridine?
The InChIKey is NMDVGUHESDRPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-3-8-4-6-9-7-5-8/h4,6H,5,7H2,1H3.
What are the key properties of 4-prop-1-ynyl-2,3-dihydropyridine?
4-prop-1-ynyl-2,3-dihydropyridine has a molecular weight of 119.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynyl-2,3-dihydropyridine is sourced from PubChem (CID 142478048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).