1H-pyridin-2-one;titanium;hydrate

C5H7NO2Ti — CID 87617254

IUPAC1H-pyridin-2-one;titanium;hydrate
SMILESO.O=c1cccc[nH]1.[Ti]
InChIInChI=1S/C5H5NO.H2O.Ti/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;
InChIKeyCRROUCGPOBZGBL-UHFFFAOYSA-N
MW160.98 g/mol
LogP-0.45
Rot. Bonds

About 1H-pyridin-2-one;titanium;hydrate

1H-pyridin-2-one;titanium;hydrate (PubChem CID 87617254) has the molecular formula C5H7NO2Ti and a molecular weight of 160.98 g/mol. Its IUPAC name is 1H-pyridin-2-one;titanium;hydrate.

Molecular Properties

Compound Name1H-pyridin-2-one;titanium;hydrate
PubChem CID87617254
Molecular FormulaC5H7NO2Ti
Molecular Weight160.98 g/mol
Exact Mass161.00
IUPAC Name1H-pyridin-2-one;titanium;hydrate
SMILESO.O=c1cccc[nH]1.[Ti]
InChIInChI=1S/C5H5NO.H2O.Ti/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;
InChIKeyCRROUCGPOBZGBL-UHFFFAOYSA-N
XLogP-0.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.98
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one;titanium;hydrate?
The IUPAC name of 1H-pyridin-2-one;titanium;hydrate (CID 87617254) is 1H-pyridin-2-one;titanium;hydrate.
What is the SMILES notation for 1H-pyridin-2-one;titanium;hydrate?
The canonical SMILES for 1H-pyridin-2-one;titanium;hydrate is O.O=c1cccc[nH]1.[Ti].
What is the InChIKey of 1H-pyridin-2-one;titanium;hydrate?
The InChIKey is CRROUCGPOBZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H2O.Ti/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;.
What are the key properties of 1H-pyridin-2-one;titanium;hydrate?
1H-pyridin-2-one;titanium;hydrate has a molecular weight of 160.98 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one;titanium;hydrate is sourced from PubChem (CID 87617254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).