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

C8H9N — CID 89208641

IUPAC6-prop-1-ynyl-2,3-dihydropyridine
SMILESCC#CC1=NCCC=C1
InChIInChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h3,6H,4,7H2,1H3
InChIKeyIDARIHPSUMKIQW-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.41
Rot. Bonds

About 6-prop-1-ynyl-2,3-dihydropyridine

6-prop-1-ynyl-2,3-dihydropyridine (PubChem CID 89208641) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 6-prop-1-ynyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-prop-1-ynyl-2,3-dihydropyridine
PubChem CID89208641
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name6-prop-1-ynyl-2,3-dihydropyridine
SMILESCC#CC1=NCCC=C1
InChIInChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h3,6H,4,7H2,1H3
InChIKeyIDARIHPSUMKIQW-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

3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
CID 15936105
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
CID 21290200
Cyclohexa-2,5-dien-1-ylidene(dimethyl)azanium
CID 23064131
6-Methyl-2,3-dihydropyridine
CID 53833017
6-but-1-ynyl-3H-pyridin-3-ide;yttrium
CID 59034753
3,6-Dimethyl-2,3-dihydropyridine
CID 68102669
(2S)-2,6-dimethyl-2,3-dihydropyridine
CID 70326526

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-ynyl-2,3-dihydropyridine?
The IUPAC name of 6-prop-1-ynyl-2,3-dihydropyridine (CID 89208641) is 6-prop-1-ynyl-2,3-dihydropyridine.
What is the SMILES notation for 6-prop-1-ynyl-2,3-dihydropyridine?
The canonical SMILES for 6-prop-1-ynyl-2,3-dihydropyridine is CC#CC1=NCCC=C1.
What is the InChIKey of 6-prop-1-ynyl-2,3-dihydropyridine?
The InChIKey is IDARIHPSUMKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h3,6H,4,7H2,1H3.
What are the key properties of 6-prop-1-ynyl-2,3-dihydropyridine?
6-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 6-prop-1-ynyl-2,3-dihydropyridine is sourced from PubChem (CID 89208641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).