4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine

C8H13N3 — CID 146176384

IUPAC4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine
SMILESCN1CN(C2=CC=NCC2)C1
InChIInChI=1S/C8H13N3/c1-10-6-11(7-10)8-2-4-9-5-3-8/h2,4H,3,5-7H2,1H3
InChIKeySSVDMPNYNBEVIZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.51
Rot. Bonds1

About 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine

4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine (PubChem CID 146176384) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine
PubChem CID146176384
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine
SMILESCN1CN(C2=CC=NCC2)C1
InChIInChI=1S/C8H13N3/c1-10-6-11(7-10)8-2-4-9-5-3-8/h2,4H,3,5-7H2,1H3
InChIKeySSVDMPNYNBEVIZ-UHFFFAOYSA-N
XLogP0.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine?
The IUPAC name of 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine (CID 146176384) is 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine is CN1CN(C2=CC=NCC2)C1.
What is the InChIKey of 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine?
The InChIKey is SSVDMPNYNBEVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-10-6-11(7-10)8-2-4-9-5-3-8/h2,4H,3,5-7H2,1H3.
What are the key properties of 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine?
4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine has a molecular weight of 151.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,3-diazetidin-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 146176384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).