2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one

C17H20N2O — CID 173107153

IUPAC2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2cccc(C3CCCC3)c2)n1
InChIInChI=1S/C17H20N2O/c1-13-9-10-17(20)19(18-13)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3
InChIKeyIFHYYWISWDGGMA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds3

About 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one

2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one (PubChem CID 173107153) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
PubChem CID173107153
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2cccc(C3CCCC3)c2)n1
InChIInChI=1S/C17H20N2O/c1-13-9-10-17(20)19(18-13)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3
InChIKeyIFHYYWISWDGGMA-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one (CID 173107153) is 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2cccc(C3CCCC3)c2)n1.
What is the InChIKey of 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is IFHYYWISWDGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-9-10-17(20)19(18-13)12-14-5-4-8-16(11-14)15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3.
What are the key properties of 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one?
2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 173107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).