1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one

C11H16N2O2 — CID 158902329

IUPAC1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one
SMILESC.O=c1cccc[nH]1.OC1C=CC=CN1
InChIInChI=1S/C5H7NO.C5H5NO.CH4/c2*7-5-3-1-2-4-6-5;/h1-7H;1-4H,(H,6,7);1H4
InChIKeyJFPILYHFJHOLFV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.99
Rot. Bonds

About 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one

1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one (PubChem CID 158902329) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one.

Molecular Properties

Compound Name1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one
PubChem CID158902329
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one
SMILESC.O=c1cccc[nH]1.OC1C=CC=CN1
InChIInChI=1S/C5H7NO.C5H5NO.CH4/c2*7-5-3-1-2-4-6-5;/h1-7H;1-4H,(H,6,7);1H4
InChIKeyJFPILYHFJHOLFV-UHFFFAOYSA-N
XLogP0.99
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one?
The IUPAC name of 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one (CID 158902329) is 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one.
What is the SMILES notation for 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one?
The canonical SMILES for 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one is C.O=c1cccc[nH]1.OC1C=CC=CN1.
What is the InChIKey of 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one?
The InChIKey is JFPILYHFJHOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C5H5NO.CH4/c2*7-5-3-1-2-4-6-5;/h1-7H;1-4H,(H,6,7);1H4.
What are the key properties of 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one?
1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-2-ol;methane;1H-pyridin-2-one is sourced from PubChem (CID 158902329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).