3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine

C9H14N2 — CID 118423118

IUPAC3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C2CNC2)CN1
InChIInChI=1S/C9H14N2/c1-7-2-3-8(6-11-7)9-4-10-5-9/h2-3,9-11H,4-6H2,1H3
InChIKeyUTCMXFKPVVVUBO-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.64
Rot. Bonds1

About 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine

3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine (PubChem CID 118423118) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine
PubChem CID118423118
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C2CNC2)CN1
InChIInChI=1S/C9H14N2/c1-7-2-3-8(6-11-7)9-4-10-5-9/h2-3,9-11H,4-6H2,1H3
InChIKeyUTCMXFKPVVVUBO-UHFFFAOYSA-N
XLogP0.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine (CID 118423118) is 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine is CC1=CC=C(C2CNC2)CN1.
What is the InChIKey of 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine?
The InChIKey is UTCMXFKPVVVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-2-3-8(6-11-7)9-4-10-5-9/h2-3,9-11H,4-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine?
3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine has a molecular weight of 150.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 118423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).