carbonic acid;bis(1H-pyridin-2-one)

C11H12N2O5 — CID 158723360

IUPACcarbonic acid;bis(1H-pyridin-2-one)
SMILESO=C(O)O.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.CH2O3/c2*7-5-3-1-2-4-6-5;2-1(3)4/h2*1-4H,(H,6,7);(H2,2,3,4)
InChIKeyIKEPCJDFNGWELA-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.97
Rot. Bonds

About carbonic acid;bis(1H-pyridin-2-one)

carbonic acid;bis(1H-pyridin-2-one) (PubChem CID 158723360) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is carbonic acid;bis(1H-pyridin-2-one).

Molecular Properties

Compound Namecarbonic acid;bis(1H-pyridin-2-one)
PubChem CID158723360
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Namecarbonic acid;bis(1H-pyridin-2-one)
SMILESO=C(O)O.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.CH2O3/c2*7-5-3-1-2-4-6-5;2-1(3)4/h2*1-4H,(H,6,7);(H2,2,3,4)
InChIKeyIKEPCJDFNGWELA-UHFFFAOYSA-N
XLogP0.97
TPSA123.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(1H-pyridin-2-one)?
The IUPAC name of carbonic acid;bis(1H-pyridin-2-one) (CID 158723360) is carbonic acid;bis(1H-pyridin-2-one).
What is the SMILES notation for carbonic acid;bis(1H-pyridin-2-one)?
The canonical SMILES for carbonic acid;bis(1H-pyridin-2-one) is O=C(O)O.O=c1cccc[nH]1.O=c1cccc[nH]1.
What is the InChIKey of carbonic acid;bis(1H-pyridin-2-one)?
The InChIKey is IKEPCJDFNGWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO.CH2O3/c2*7-5-3-1-2-4-6-5;2-1(3)4/h2*1-4H,(H,6,7);(H2,2,3,4).
What are the key properties of carbonic acid;bis(1H-pyridin-2-one)?
carbonic acid;bis(1H-pyridin-2-one) has a molecular weight of 252.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(1H-pyridin-2-one) is sourced from PubChem (CID 158723360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).