1-(4-methyl-2-pyridinyl)hexan-1-one

C12H17NO — CID 63841215

IUPAC1-(4-methyl-2-pyridinyl)hexan-1-one
SMILESCCCCCC(=O)c1cc(C)ccn1
InChIInChI=1S/C12H17NO/c1-3-4-5-6-12(14)11-9-10(2)7-8-13-11/h7-9H,3-6H2,1-2H3
InChIKeyNOVJBYHPEDQPCD-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-methyl-2-pyridinyl)hexan-1-one

1-(4-methyl-2-pyridinyl)hexan-1-one (PubChem CID 63841215) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)hexan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)hexan-1-one
PubChem CID63841215
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-methyl-2-pyridinyl)hexan-1-one
SMILESCCCCCC(=O)c1cc(C)ccn1
InChIInChI=1S/C12H17NO/c1-3-4-5-6-12(14)11-9-10(2)7-8-13-11/h7-9H,3-6H2,1-2H3
InChIKeyNOVJBYHPEDQPCD-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylhexan-1-one
CID 556347
1-pyrazin-2-ylhexan-1-one
CID 22507174
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
1-(2-methyl-4-pyridinyl)hexadecan-1-one
CID 142775906
1-(4-methyl-2-pyridinyl)but-3-en-1-one
CID 63839400
3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-one
CID 55256964
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)hexan-1-one?
The IUPAC name of 1-(4-methyl-2-pyridinyl)hexan-1-one (CID 63841215) is 1-(4-methyl-2-pyridinyl)hexan-1-one.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)hexan-1-one?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)hexan-1-one is CCCCCC(=O)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)hexan-1-one?
The InChIKey is NOVJBYHPEDQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-5-6-12(14)11-9-10(2)7-8-13-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)hexan-1-one?
1-(4-methyl-2-pyridinyl)hexan-1-one has a molecular weight of 191.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)hexan-1-one is sourced from PubChem (CID 63841215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).