5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one

C9H10N2O — CID 137001840

IUPAC5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2=NCCC2)c[nH]1
InChIInChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyQYPBKLSPFWOREG-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.96
Rot. Bonds1

About 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one

5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one (PubChem CID 137001840) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one
PubChem CID137001840
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2=NCCC2)c[nH]1
InChIInChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyQYPBKLSPFWOREG-UHFFFAOYSA-N
XLogP0.96
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one (CID 137001840) is 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one is O=c1ccc(C2=NCCC2)c[nH]1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one?
The InChIKey is QYPBKLSPFWOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6H,1-2,5H2,(H,11,12).
What are the key properties of 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one?
5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one has a molecular weight of 162.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137001840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).