propan-2-ol;1H-pyridin-2-one

C8H13NO2 — CID 174370207

IUPACpropan-2-ol;1H-pyridin-2-one
SMILESCC(C)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C3H8O/c7-5-3-1-2-4-6-5;1-3(2)4/h1-4H,(H,6,7);3-4H,1-2H3
InChIKeySGHFSQHGLJQXJR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.76
Rot. Bonds

About propan-2-ol;1H-pyridin-2-one

propan-2-ol;1H-pyridin-2-one (PubChem CID 174370207) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is propan-2-ol;1H-pyridin-2-one.

Molecular Properties

Compound Namepropan-2-ol;1H-pyridin-2-one
PubChem CID174370207
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namepropan-2-ol;1H-pyridin-2-one
SMILESCC(C)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C3H8O/c7-5-3-1-2-4-6-5;1-3(2)4/h1-4H,(H,6,7);3-4H,1-2H3
InChIKeySGHFSQHGLJQXJR-UHFFFAOYSA-N
XLogP0.76
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;1H-pyridin-2-one?
The IUPAC name of propan-2-ol;1H-pyridin-2-one (CID 174370207) is propan-2-ol;1H-pyridin-2-one.
What is the SMILES notation for propan-2-ol;1H-pyridin-2-one?
The canonical SMILES for propan-2-ol;1H-pyridin-2-one is CC(C)O.O=c1cccc[nH]1.
What is the InChIKey of propan-2-ol;1H-pyridin-2-one?
The InChIKey is SGHFSQHGLJQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C3H8O/c7-5-3-1-2-4-6-5;1-3(2)4/h1-4H,(H,6,7);3-4H,1-2H3.
What are the key properties of propan-2-ol;1H-pyridin-2-one?
propan-2-ol;1H-pyridin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;1H-pyridin-2-one is sourced from PubChem (CID 174370207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).