3-cyclopropyl-1H-pyridin-2-one

C8H9NO — CID 56972692

IUPAC3-cyclopropyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC1
InChIInChI=1S/C8H9NO/c10-8-7(6-3-4-6)2-1-5-9-8/h1-2,5-6H,3-4H2,(H,9,10)
InChIKeyAUNWUONIFCPUOD-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.25
Rot. Bonds1

About 3-cyclopropyl-1H-pyridin-2-one

3-cyclopropyl-1H-pyridin-2-one (PubChem CID 56972692) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1H-pyridin-2-one
PubChem CID56972692
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-cyclopropyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC1
InChIInChI=1S/C8H9NO/c10-8-7(6-3-4-6)2-1-5-9-8/h1-2,5-6H,3-4H2,(H,9,10)
InChIKeyAUNWUONIFCPUOD-UHFFFAOYSA-N
XLogP1.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-1H-pyridin-2-one (CID 56972692) is 3-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-1H-pyridin-2-one is O=c1[nH]cccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1H-pyridin-2-one?
The InChIKey is AUNWUONIFCPUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-7(6-3-4-6)2-1-5-9-8/h1-2,5-6H,3-4H2,(H,9,10).
What are the key properties of 3-cyclopropyl-1H-pyridin-2-one?
3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 135.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 56972692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).