1-(cyclopropylmethyl)-3-ethylpyridin-2-one

C11H15NO — CID 178099150

IUPAC1-(cyclopropylmethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(CC2CC2)c1=O
InChIInChI=1S/C11H15NO/c1-2-10-4-3-7-12(11(10)13)8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyQMWIKCSMPJAERD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-ethylpyridin-2-one

1-(cyclopropylmethyl)-3-ethylpyridin-2-one (PubChem CID 178099150) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethylpyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethylpyridin-2-one
PubChem CID178099150
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(cyclopropylmethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(CC2CC2)c1=O
InChIInChI=1S/C11H15NO/c1-2-10-4-3-7-12(11(10)13)8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyQMWIKCSMPJAERD-UHFFFAOYSA-N
XLogP1.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethylpyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethylpyridin-2-one (CID 178099150) is 1-(cyclopropylmethyl)-3-ethylpyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethylpyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethylpyridin-2-one is CCc1cccn(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethylpyridin-2-one?
The InChIKey is QMWIKCSMPJAERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-10-4-3-7-12(11(10)13)8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-ethylpyridin-2-one?
1-(cyclopropylmethyl)-3-ethylpyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethylpyridin-2-one is sourced from PubChem (CID 178099150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).