bis(3,4-dihydropyridine);formaldehyde

C11H16N2O — CID 174417499

IUPACbis(3,4-dihydropyridine);formaldehyde
SMILESC1=CN=CCC1.C1=CN=CCC1.C=O
InChIInChI=1S/2C5H7N.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*2,4-5H,1,3H2;1H2
InChIKeyWNIVAVFCZMCGGT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.54
Rot. Bonds

About bis(3,4-dihydropyridine);formaldehyde

bis(3,4-dihydropyridine);formaldehyde (PubChem CID 174417499) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is bis(3,4-dihydropyridine);formaldehyde.

Molecular Properties

Compound Namebis(3,4-dihydropyridine);formaldehyde
PubChem CID174417499
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namebis(3,4-dihydropyridine);formaldehyde
SMILESC1=CN=CCC1.C1=CN=CCC1.C=O
InChIInChI=1S/2C5H7N.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*2,4-5H,1,3H2;1H2
InChIKeyWNIVAVFCZMCGGT-UHFFFAOYSA-N
XLogP2.54
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dihydropyridine);formaldehyde?
The IUPAC name of bis(3,4-dihydropyridine);formaldehyde (CID 174417499) is bis(3,4-dihydropyridine);formaldehyde.
What is the SMILES notation for bis(3,4-dihydropyridine);formaldehyde?
The canonical SMILES for bis(3,4-dihydropyridine);formaldehyde is C1=CN=CCC1.C1=CN=CCC1.C=O.
What is the InChIKey of bis(3,4-dihydropyridine);formaldehyde?
The InChIKey is WNIVAVFCZMCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*2,4-5H,1,3H2;1H2.
What are the key properties of bis(3,4-dihydropyridine);formaldehyde?
bis(3,4-dihydropyridine);formaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dihydropyridine);formaldehyde is sourced from PubChem (CID 174417499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).