3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

C16H22N2O — CID 71584831

IUPAC3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cncc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1
InChIKeyDORKRVDXEQSBGX-OAHLLOKOSA-N
MW258.37 g/mol
LogP2.75
Rot. Bonds5

About 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 71584831) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID71584831
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cncc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1
InChIKeyDORKRVDXEQSBGX-OAHLLOKOSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (CID 71584831) is 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is CCCCC#Cc1cncc(OC[C@H]2CCCN2)c1.
What is the InChIKey of 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is DORKRVDXEQSBGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m1/s1.
What are the key properties of 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 258.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-ynyl-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 71584831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).