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

C10H12N2 — CID 88987663

IUPAC2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
SMILESC1=CCC(C2=CN=CCC2)N=C1
InChIInChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,6-8,10H,3-5H2
InChIKeyMWQRIXFZFQAKGL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.13
Rot. Bonds1

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

2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine (PubChem CID 88987663) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
PubChem CID88987663
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
SMILESC1=CCC(C2=CN=CCC2)N=C1
InChIInChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,6-8,10H,3-5H2
InChIKeyMWQRIXFZFQAKGL-UHFFFAOYSA-N
XLogP2.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The IUPAC name of 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine (CID 88987663) is 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The canonical SMILES for 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine is C1=CCC(C2=CN=CCC2)N=C1.
What is the InChIKey of 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The InChIKey is MWQRIXFZFQAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,6-8,10H,3-5H2.
What are the key properties of 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine has a molecular weight of 160.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine is sourced from PubChem (CID 88987663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).