4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one

C19H25NO — CID 123131598

IUPAC4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one
SMILESCCCCCCc1ccn(Cc2ccccc2C)c(=O)c1
InChIInChI=1S/C19H25NO/c1-3-4-5-6-10-17-12-13-20(19(21)14-17)15-18-11-8-7-9-16(18)2/h7-9,11-14H,3-6,10,15H2,1-2H3
InChIKeyZXZSNNCDYIKZMV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds7

About 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one

4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one (PubChem CID 123131598) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one
PubChem CID123131598
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one
SMILESCCCCCCc1ccn(Cc2ccccc2C)c(=O)c1
InChIInChI=1S/C19H25NO/c1-3-4-5-6-10-17-12-13-20(19(21)14-17)15-18-11-8-7-9-16(18)2/h7-9,11-14H,3-6,10,15H2,1-2H3
InChIKeyZXZSNNCDYIKZMV-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one (CID 123131598) is 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one is CCCCCCc1ccn(Cc2ccccc2C)c(=O)c1.
What is the InChIKey of 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one?
The InChIKey is ZXZSNNCDYIKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-6-10-17-12-13-20(19(21)14-17)15-18-11-8-7-9-16(18)2/h7-9,11-14H,3-6,10,15H2,1-2H3.
What are the key properties of 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one?
4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one has a molecular weight of 283.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-[(2-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 123131598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).