2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine

C12H14N2 — CID 89188300

IUPAC2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
SMILESC=C(C1=NC=CCC1)C1C=CC=CN1
InChIInChI=1S/C12H14N2/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12/h2,4-6,8-9,11,13H,1,3,7H2
InChIKeySMYPPOUVPWYVBI-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.33
Rot. Bonds2

About 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine

2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine (PubChem CID 89188300) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
PubChem CID89188300
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
SMILESC=C(C1=NC=CCC1)C1C=CC=CN1
InChIInChI=1S/C12H14N2/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12/h2,4-6,8-9,11,13H,1,3,7H2
InChIKeySMYPPOUVPWYVBI-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine?
The IUPAC name of 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine (CID 89188300) is 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine.
What is the SMILES notation for 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine?
The canonical SMILES for 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine is C=C(C1=NC=CCC1)C1C=CC=CN1.
What is the InChIKey of 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine?
The InChIKey is SMYPPOUVPWYVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12/h2,4-6,8-9,11,13H,1,3,7H2.
What are the key properties of 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine?
2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine has a molecular weight of 186.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine is sourced from PubChem (CID 89188300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).