bis(2,3-dihydropyridine);hydrate

C10H16N2O — CID 19837077

IUPACbis(2,3-dihydropyridine);hydrate
SMILESC1=CCCN=C1.C1=CCCN=C1.O
InChIInChI=1S/2C5H7N.H2O/c2*1-2-4-6-5-3-1;/h2*1-2,4H,3,5H2;1H2
InChIKeyAZWCATPMXVNWOU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.21
Rot. Bonds

About bis(2,3-dihydropyridine);hydrate

bis(2,3-dihydropyridine);hydrate (PubChem CID 19837077) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is bis(2,3-dihydropyridine);hydrate.

Molecular Properties

Compound Namebis(2,3-dihydropyridine);hydrate
PubChem CID19837077
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namebis(2,3-dihydropyridine);hydrate
SMILESC1=CCCN=C1.C1=CCCN=C1.O
InChIInChI=1S/2C5H7N.H2O/c2*1-2-4-6-5-3-1;/h2*1-2,4H,3,5H2;1H2
InChIKeyAZWCATPMXVNWOU-UHFFFAOYSA-N
XLogP1.21
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydropyridine);hydrate?
The IUPAC name of bis(2,3-dihydropyridine);hydrate (CID 19837077) is bis(2,3-dihydropyridine);hydrate.
What is the SMILES notation for bis(2,3-dihydropyridine);hydrate?
The canonical SMILES for bis(2,3-dihydropyridine);hydrate is C1=CCCN=C1.C1=CCCN=C1.O.
What is the InChIKey of bis(2,3-dihydropyridine);hydrate?
The InChIKey is AZWCATPMXVNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.H2O/c2*1-2-4-6-5-3-1;/h2*1-2,4H,3,5H2;1H2.
What are the key properties of bis(2,3-dihydropyridine);hydrate?
bis(2,3-dihydropyridine);hydrate has a molecular weight of 180.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydropyridine);hydrate is sourced from PubChem (CID 19837077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).