1,2-dihydropyridine;ethane

C9H19N — CID 54520424

IUPAC1,2-dihydropyridine;ethane
SMILESC1=CCNC=C1.CC.CC
InChIInChI=1S/C5H7N.2C2H6/c1-2-4-6-5-3-1;2*1-2/h1-4,6H,5H2;2*1-2H3
InChIKeyYPKQAAHYCFOKJV-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.71
Rot. Bonds

About 1,2-dihydropyridine;ethane

1,2-dihydropyridine;ethane (PubChem CID 54520424) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,2-dihydropyridine;ethane.

Molecular Properties

Compound Name1,2-dihydropyridine;ethane
PubChem CID54520424
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,2-dihydropyridine;ethane
SMILESC1=CCNC=C1.CC.CC
InChIInChI=1S/C5H7N.2C2H6/c1-2-4-6-5-3-1;2*1-2/h1-4,6H,5H2;2*1-2H3
InChIKeyYPKQAAHYCFOKJV-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine;ethane?
The IUPAC name of 1,2-dihydropyridine;ethane (CID 54520424) is 1,2-dihydropyridine;ethane.
What is the SMILES notation for 1,2-dihydropyridine;ethane?
The canonical SMILES for 1,2-dihydropyridine;ethane is C1=CCNC=C1.CC.CC.
What is the InChIKey of 1,2-dihydropyridine;ethane?
The InChIKey is YPKQAAHYCFOKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C2H6/c1-2-4-6-5-3-1;2*1-2/h1-4,6H,5H2;2*1-2H3.
What are the key properties of 1,2-dihydropyridine;ethane?
1,2-dihydropyridine;ethane has a molecular weight of 141.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine;ethane is sourced from PubChem (CID 54520424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).