[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol

C14H18N2O2 — CID 163591746

IUPAC[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
SMILESOC[C@@H]1C=C1Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C14H18N2O2/c17-8-12-5-11(12)3-10-4-14(7-15-6-10)18-9-13-1-2-16-13/h4-7,12-13,16-17H,1-3,8-9H2/t12-,13-/m0/s1
InChIKeyGQBONYJUZDRLOS-STQMWFEESA-N
MW246.31 g/mol
LogP0.91
Rot. Bonds6

About [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol

[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol (PubChem CID 163591746) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
PubChem CID163591746
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
SMILESOC[C@@H]1C=C1Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C14H18N2O2/c17-8-12-5-11(12)3-10-4-14(7-15-6-10)18-9-13-1-2-16-13/h4-7,12-13,16-17H,1-3,8-9H2/t12-,13-/m0/s1
InChIKeyGQBONYJUZDRLOS-STQMWFEESA-N
XLogP0.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol with MolForge

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
(1R)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1-cyclopropylethanol
CID 90893860
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
CID 68611909
3-(azetidin-2-ylmethoxy)-5-pentylpyridine
CID 77323353
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
CID 46190781
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide
CID 70230795
2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
CID 68613292
6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline
CID 59371573
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol?
The IUPAC name of [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol (CID 163591746) is [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol.
What is the SMILES notation for [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol?
The canonical SMILES for [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol is OC[C@@H]1C=C1Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol?
The InChIKey is GQBONYJUZDRLOS-STQMWFEESA-N. The full InChI is InChI=1S/C14H18N2O2/c17-8-12-5-11(12)3-10-4-14(7-15-6-10)18-9-13-1-2-16-13/h4-7,12-13,16-17H,1-3,8-9H2/t12-,13-/m0/s1.
What are the key properties of [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol?
[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol is sourced from PubChem (CID 163591746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).