3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine

C15H20N2O — CID 71584936

IUPAC3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
SMILESCCCCC#Cc1cncc(OC[C@H]2CCN2)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
InChIKeyVXRANFSOUCNARC-CQSZACIVSA-N
MW244.34 g/mol
LogP2.36
Rot. Bonds5

About 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine

3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine (PubChem CID 71584936) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine.

Molecular Properties

Compound Name3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
PubChem CID71584936
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
SMILESCCCCC#Cc1cncc(OC[C@H]2CCN2)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
InChIKeyVXRANFSOUCNARC-CQSZACIVSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.36
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-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine?
The IUPAC name of 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine (CID 71584936) is 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine.
What is the SMILES notation for 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine?
The canonical SMILES for 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine is CCCCC#Cc1cncc(OC[C@H]2CCN2)c1.
What is the InChIKey of 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine?
The InChIKey is VXRANFSOUCNARC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine?
3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine has a molecular weight of 244.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine is sourced from PubChem (CID 71584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).