5-ethyl-1H-pyridin-2-one;molecular hydrogen

C7H11NO — CID 142493028

IUPAC5-ethyl-1H-pyridin-2-one;molecular hydrogen
SMILESCCc1ccc(=O)[nH]c1.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-2-6-3-4-7(9)8-5-6;/h3-5H,2H2,1H3,(H,8,9);1H
InChIKeyWWZCUXUGOQOPAN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.18
Rot. Bonds1

About 5-ethyl-1H-pyridin-2-one;molecular hydrogen

5-ethyl-1H-pyridin-2-one;molecular hydrogen (PubChem CID 142493028) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-ethyl-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name5-ethyl-1H-pyridin-2-one;molecular hydrogen
PubChem CID142493028
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-ethyl-1H-pyridin-2-one;molecular hydrogen
SMILESCCc1ccc(=O)[nH]c1.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-2-6-3-4-7(9)8-5-6;/h3-5H,2H2,1H3,(H,8,9);1H
InChIKeyWWZCUXUGOQOPAN-UHFFFAOYSA-N
XLogP1.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
5-(methylsulfanylmethyl)-1H-pyridin-2-one
CID 143124265
5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
CID 54594095
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483
5-(4-ethylthiophen-2-yl)-1H-pyridin-2-one
CID 53445780
5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
CID 138623183
5-(2-chloroethyl)-1H-pyridin-2-one
CID 19781618
ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
CID 171659448
5-prop-2-enyl-1H-pyridin-2-one
CID 142063210
3-ethyl-1H-pyrrole;molecular hydrogen
CID 142378632
2-(6-oxo-1H-pyridin-3-yl)ethanesulfonic acid
CID 19377950
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of 5-ethyl-1H-pyridin-2-one;molecular hydrogen (CID 142493028) is 5-ethyl-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for 5-ethyl-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for 5-ethyl-1H-pyridin-2-one;molecular hydrogen is CCc1ccc(=O)[nH]c1.[H][H].
What is the InChIKey of 5-ethyl-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is WWZCUXUGOQOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.H2/c1-2-6-3-4-7(9)8-5-6;/h3-5H,2H2,1H3,(H,8,9);1H.
What are the key properties of 5-ethyl-1H-pyridin-2-one;molecular hydrogen?
5-ethyl-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 125.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 142493028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).