3-(1H-pyrrol-2-yl)-1H-pyridin-4-one

C9H8N2O — CID 91573710

IUPAC3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1ccc[nH]1
InChIInChI=1S/C9H8N2O/c12-9-3-5-10-6-7(9)8-2-1-4-11-8/h1-6,11H,(H,10,12)
InChIKeyCQFMHWBSHFMLEP-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.37
Rot. Bonds1

About 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one

3-(1H-pyrrol-2-yl)-1H-pyridin-4-one (PubChem CID 91573710) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
PubChem CID91573710
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1ccc[nH]1
InChIInChI=1S/C9H8N2O/c12-9-3-5-10-6-7(9)8-2-1-4-11-8/h1-6,11H,(H,10,12)
InChIKeyCQFMHWBSHFMLEP-UHFFFAOYSA-N
XLogP1.37
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one (CID 91573710) is 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one is O=c1cc[nH]cc1-c1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one?
The InChIKey is CQFMHWBSHFMLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-3-5-10-6-7(9)8-2-1-4-11-8/h1-6,11H,(H,10,12).
What are the key properties of 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one?
3-(1H-pyrrol-2-yl)-1H-pyridin-4-one has a molecular weight of 160.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 91573710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).