1,4-dihydropyridine;molecular hydrogen

C5H9N — CID 174667002

IUPAC1,4-dihydropyridine;molecular hydrogen
SMILESC1=CNC=CC1.[H][H]
InChIInChI=1S/C5H7N.H2/c1-2-4-6-5-3-1;/h2-6H,1H2;1H
InChIKeyOUOISDPXXPZTRI-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.25
Rot. Bonds

About 1,4-dihydropyridine;molecular hydrogen

1,4-dihydropyridine;molecular hydrogen (PubChem CID 174667002) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1,4-dihydropyridine;molecular hydrogen.

Molecular Properties

Compound Name1,4-dihydropyridine;molecular hydrogen
PubChem CID174667002
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1,4-dihydropyridine;molecular hydrogen
SMILESC1=CNC=CC1.[H][H]
InChIInChI=1S/C5H7N.H2/c1-2-4-6-5-3-1;/h2-6H,1H2;1H
InChIKeyOUOISDPXXPZTRI-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine;molecular hydrogen?
The IUPAC name of 1,4-dihydropyridine;molecular hydrogen (CID 174667002) is 1,4-dihydropyridine;molecular hydrogen.
What is the SMILES notation for 1,4-dihydropyridine;molecular hydrogen?
The canonical SMILES for 1,4-dihydropyridine;molecular hydrogen is C1=CNC=CC1.[H][H].
What is the InChIKey of 1,4-dihydropyridine;molecular hydrogen?
The InChIKey is OUOISDPXXPZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.H2/c1-2-4-6-5-3-1;/h2-6H,1H2;1H.
What are the key properties of 1,4-dihydropyridine;molecular hydrogen?
1,4-dihydropyridine;molecular hydrogen has a molecular weight of 83.13 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine;molecular hydrogen is sourced from PubChem (CID 174667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).