4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one

C12H19NO — CID 89282454

IUPAC4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCCc1cc(=O)[nH]cc1C(C)(C)CC
InChIInChI=1S/C12H19NO/c1-5-9-7-11(14)13-8-10(9)12(3,4)6-2/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyHJPMYNWJOHIAQS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.62
Rot. Bonds3

About 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one

4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one (PubChem CID 89282454) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one
PubChem CID89282454
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCCc1cc(=O)[nH]cc1C(C)(C)CC
InChIInChI=1S/C12H19NO/c1-5-9-7-11(14)13-8-10(9)12(3,4)6-2/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyHJPMYNWJOHIAQS-UHFFFAOYSA-N
XLogP2.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethylretinamide
CID 5288173
Retinamide, N-ethyl-, 13-cis-
CID 6437852
4-Tert-butylpyridin-2-ol
CID 14543259
N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 4361
4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one
CID 157164886
5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163237946
5-butan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 166738640
5-tert-butyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 166839491
(2E,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 18941807
(2E,4E,6Z,8E)-N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 5353807
5-Pentyl-2(1H)-pyridinone
CID 12552273
4,5-diethyl-1H-pyridin-2-one
CID 12552276

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one (CID 89282454) is 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one is CCc1cc(=O)[nH]cc1C(C)(C)CC.
What is the InChIKey of 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The InChIKey is HJPMYNWJOHIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-9-7-11(14)13-8-10(9)12(3,4)6-2/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one?
4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 89282454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).