5-(2-methylpentyl)-1H-pyridin-2-one

C11H17NO — CID 126657275

IUPAC5-(2-methylpentyl)-1H-pyridin-2-one
SMILESCCCC(C)Cc1ccc(=O)[nH]c1
InChIInChI=1S/C11H17NO/c1-3-4-9(2)7-10-5-6-11(13)12-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyYGGHASPIWMBEOC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.35
Rot. Bonds4

About 5-(2-methylpentyl)-1H-pyridin-2-one

5-(2-methylpentyl)-1H-pyridin-2-one (PubChem CID 126657275) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-(2-methylpentyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-methylpentyl)-1H-pyridin-2-one
PubChem CID126657275
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-(2-methylpentyl)-1H-pyridin-2-one
SMILESCCCC(C)Cc1ccc(=O)[nH]c1
InChIInChI=1S/C11H17NO/c1-3-4-9(2)7-10-5-6-11(13)12-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyYGGHASPIWMBEOC-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-2-pyridinol
CID 19365871
5-Cyclopropylpyridin-2-ol
CID 21690649
(2E,4E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,4-dienamide
CID 44283783
(2E,4E)-N-ethyl-3,7,11-trimethyldodeca-2,4,10-trienamide
CID 44284071
2,4-Dodecadienamide, N-ethyl-3,7,11-trimethyl-, (E,E)-
CID 44284125
4-Propylpyridone
CID 45787940
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
3-fluoro-5-pentyl-1H-pyridin-2-one
CID 12552278
5-(2-acetylpentyl)-3-fluoro-1H-pyridin-2-one
CID 162740304
(E)-3-cyclohexyl-N-methylbut-2-enamide
CID 21681485

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-methylpentyl)-1H-pyridin-2-one (CID 126657275) is 5-(2-methylpentyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-methylpentyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-methylpentyl)-1H-pyridin-2-one is CCCC(C)Cc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(2-methylpentyl)-1H-pyridin-2-one?
The InChIKey is YGGHASPIWMBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-9(2)7-10-5-6-11(13)12-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylpentyl)-1H-pyridin-2-one?
5-(2-methylpentyl)-1H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentyl)-1H-pyridin-2-one is sourced from PubChem (CID 126657275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).