2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine

C10H14N2 — CID 123495933

IUPAC2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CC(C2CCCC=N2)N=CC1
InChIInChI=1S/C10H14N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,5,7-10H,2-4,6H2
InChIKeyLDAPZAQEISUEJH-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds1

About 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine

2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine (PubChem CID 123495933) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
PubChem CID123495933
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CC(C2CCCC=N2)N=CC1
InChIInChI=1S/C10H14N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,5,7-10H,2-4,6H2
InChIKeyLDAPZAQEISUEJH-UHFFFAOYSA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6,8a-Tetrahydroquinoline
CID 90716025
3,5,8,8a-Tetrahydroquinoline
CID 54491121
4a,5,8,8a-Tetrahydroquinoxaline
CID 58901459
2-Butyl-2,3-dihydropyridine
CID 67259288
2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
2-(3,4-Dihydropyridin-5-yl)-2,3-dihydropyridine
CID 88987663
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
2-(2,5-Dihydropyridin-2-yl)-2,5-dihydropyridine
CID 90896499
3,4,6,8a-Tetrahydroquinoline
CID 91059768
3,5,8,8a-Tetrahydro-1,7-naphthyridine
CID 91087833
2-(3,4-dihydro-2H-pyrrol-5-yl)-3,6-dihydro-2H-azepine
CID 91197570
2,4a,7,8-Tetrahydro-1,5-naphthyridine
CID 91263735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine (CID 123495933) is 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine is C1=CC(C2CCCC=N2)N=CC1.
What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The InChIKey is LDAPZAQEISUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,5,7-10H,2-4,6H2.
What are the key properties of 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 123495933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).