1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol

C9H14N2O — CID 118487340

IUPAC1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol
SMILESCC1C=CC(N2CC(O)C2)=CN1
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(4-10-7)11-5-9(12)6-11/h2-4,7,9-10,12H,5-6H2,1H3
InChIKeyNIZLQOQLRRUQOV-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.05
Rot. Bonds1

About 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol

1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol (PubChem CID 118487340) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol
PubChem CID118487340
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol
SMILESCC1C=CC(N2CC(O)C2)=CN1
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(4-10-7)11-5-9(12)6-11/h2-4,7,9-10,12H,5-6H2,1H3
InChIKeyNIZLQOQLRRUQOV-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol?
The IUPAC name of 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol (CID 118487340) is 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol.
What is the SMILES notation for 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol?
The canonical SMILES for 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol is CC1C=CC(N2CC(O)C2)=CN1.
What is the InChIKey of 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol?
The InChIKey is NIZLQOQLRRUQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-3-8(4-10-7)11-5-9(12)6-11/h2-4,7,9-10,12H,5-6H2,1H3.
What are the key properties of 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol?
1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol has a molecular weight of 166.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2-dihydropyridin-5-yl)azetidin-3-ol is sourced from PubChem (CID 118487340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).