1-(azet-2-yl)-3,6-dihydro-2H-pyridine

C8H10N2 — CID 57036027

IUPAC1-(azet-2-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2=NC=C2)CC1
InChIInChI=1S/C8H10N2/c1-2-6-10(7-3-1)8-4-5-9-8/h1-2,4-5H,3,6-7H2
InChIKeyMTRFIDRDCAWEMM-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.17
Rot. Bonds

About 1-(azet-2-yl)-3,6-dihydro-2H-pyridine

1-(azet-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 57036027) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(azet-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(azet-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID57036027
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-(azet-2-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2=NC=C2)CC1
InChIInChI=1S/C8H10N2/c1-2-6-10(7-3-1)8-4-5-9-8/h1-2,4-5H,3,6-7H2
InChIKeyMTRFIDRDCAWEMM-UHFFFAOYSA-N
XLogP1.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(azet-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(azet-2-yl)-3,6-dihydro-2H-pyridine (CID 57036027) is 1-(azet-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(azet-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(azet-2-yl)-3,6-dihydro-2H-pyridine is C1=CCN(C2=NC=C2)CC1.
What is the InChIKey of 1-(azet-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is MTRFIDRDCAWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-6-10(7-3-1)8-4-5-9-8/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(azet-2-yl)-3,6-dihydro-2H-pyridine?
1-(azet-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 134.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azet-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 57036027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).