3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine

C15H17N — CID 178009111

IUPAC3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1C#CC1CCCC1
InChIInChI=1S/C15H17N/c1-12(2)15-9-10-16-11-14(15)8-7-13-5-3-4-6-13/h9-11,13H,1,3-6H2,2H3
InChIKeyNUIMOOCUBGJUJK-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.66
Rot. Bonds1

About 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine

3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine (PubChem CID 178009111) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine
PubChem CID178009111
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1C#CC1CCCC1
InChIInChI=1S/C15H17N/c1-12(2)15-9-10-16-11-14(15)8-7-13-5-3-4-6-13/h9-11,13H,1,3-6H2,2H3
InChIKeyNUIMOOCUBGJUJK-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.66
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

3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
CID 178009109
3-cyclopropyloxy-4-prop-1-en-2-ylpyridine
CID 123922640
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 66482908
methyl 2-(2-cyclohexylethynyl)benzoate
CID 50900175
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 82753353
4-(2-cyclopropylethynyl)pyridine
CID 122242573
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 115561134
3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 83016440
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585
N,N-dimethyl-3-prop-1-en-2-ylpyridin-4-amine
CID 159830107
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine?
The IUPAC name of 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine (CID 178009111) is 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine is C=C(C)c1ccncc1C#CC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine?
The InChIKey is NUIMOOCUBGJUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12(2)15-9-10-16-11-14(15)8-7-13-5-3-4-6-13/h9-11,13H,1,3-6H2,2H3.
What are the key properties of 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine?
3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine has a molecular weight of 211.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethynyl)-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 178009111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).