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

C9H11NO — CID 83131325

IUPAC5-cyclopropyl-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CC2)c[nH]c1=O
InChIInChI=1S/C9H11NO/c1-6-4-8(7-2-3-7)5-10-9(6)11/h4-5,7H,2-3H2,1H3,(H,10,11)
InChIKeyNNDFBTHPDPXVKR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds1

About 5-cyclopropyl-3-methyl-1H-pyridin-2-one

5-cyclopropyl-3-methyl-1H-pyridin-2-one (PubChem CID 83131325) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-1H-pyridin-2-one
PubChem CID83131325
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-cyclopropyl-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CC2)c[nH]c1=O
InChIInChI=1S/C9H11NO/c1-6-4-8(7-2-3-7)5-10-9(6)11/h4-5,7H,2-3H2,1H3,(H,10,11)
InChIKeyNNDFBTHPDPXVKR-UHFFFAOYSA-N
XLogP1.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-methyl-1H-pyridin-2-one (CID 83131325) is 5-cyclopropyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-methyl-1H-pyridin-2-one is Cc1cc(C2CC2)c[nH]c1=O.
What is the InChIKey of 5-cyclopropyl-3-methyl-1H-pyridin-2-one?
The InChIKey is NNDFBTHPDPXVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-8(7-2-3-7)5-10-9(6)11/h4-5,7H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-cyclopropyl-3-methyl-1H-pyridin-2-one?
5-cyclopropyl-3-methyl-1H-pyridin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 83131325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).