5-cyclopropyl-6-ethyl-3H-pyridin-2-one

C10H13NO — CID 175234055

IUPAC5-cyclopropyl-6-ethyl-3H-pyridin-2-one
SMILESCCC1=NC(=O)CC=C1C1CC1
InChIInChI=1S/C10H13NO/c1-2-9-8(7-3-4-7)5-6-10(12)11-9/h5,7H,2-4,6H2,1H3
InChIKeyOOUYTVIQTIWUNI-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.10
Rot. Bonds2

About 5-cyclopropyl-6-ethyl-3H-pyridin-2-one

5-cyclopropyl-6-ethyl-3H-pyridin-2-one (PubChem CID 175234055) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-cyclopropyl-6-ethyl-3H-pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-6-ethyl-3H-pyridin-2-one
PubChem CID175234055
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-cyclopropyl-6-ethyl-3H-pyridin-2-one
SMILESCCC1=NC(=O)CC=C1C1CC1
InChIInChI=1S/C10H13NO/c1-2-9-8(7-3-4-7)5-6-10(12)11-9/h5,7H,2-4,6H2,1H3
InChIKeyOOUYTVIQTIWUNI-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-ethyl-3H-pyridin-2-one?
The IUPAC name of 5-cyclopropyl-6-ethyl-3H-pyridin-2-one (CID 175234055) is 5-cyclopropyl-6-ethyl-3H-pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-6-ethyl-3H-pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-6-ethyl-3H-pyridin-2-one is CCC1=NC(=O)CC=C1C1CC1.
What is the InChIKey of 5-cyclopropyl-6-ethyl-3H-pyridin-2-one?
The InChIKey is OOUYTVIQTIWUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9-8(7-3-4-7)5-6-10(12)11-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-cyclopropyl-6-ethyl-3H-pyridin-2-one?
5-cyclopropyl-6-ethyl-3H-pyridin-2-one has a molecular weight of 163.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-ethyl-3H-pyridin-2-one is sourced from PubChem (CID 175234055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).