4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one

C16H13NO — CID 53405287

IUPAC4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc[nH]c(=O)c2)c2ccccc12
InChIInChI=1S/C16H13NO/c1-11-6-7-14(12-8-9-17-16(18)10-12)15-5-3-2-4-13(11)15/h2-10H,1H3,(H,17,18)
InChIKeyPIYLGXVEUIVDEM-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds1

About 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one

4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one (PubChem CID 53405287) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
PubChem CID53405287
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc[nH]c(=O)c2)c2ccccc12
InChIInChI=1S/C16H13NO/c1-11-6-7-14(12-8-9-17-16(18)10-12)15-5-3-2-4-13(11)15/h2-10H,1H3,(H,17,18)
InChIKeyPIYLGXVEUIVDEM-UHFFFAOYSA-N
XLogP3.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one (CID 53405287) is 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one is Cc1ccc(-c2cc[nH]c(=O)c2)c2ccccc12.
What is the InChIKey of 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one?
The InChIKey is PIYLGXVEUIVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-6-7-14(12-8-9-17-16(18)10-12)15-5-3-2-4-13(11)15/h2-10H,1H3,(H,17,18).
What are the key properties of 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one?
4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 53405287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).