9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one

C19H18N2O — CID 56651940

IUPAC9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one
SMILESCCCCN(C)C1=C2C(=NC1=O)c1cccc3cccc2c13
InChIInChI=1S/C19H18N2O/c1-3-4-11-21(2)18-16-13-9-5-7-12-8-6-10-14(15(12)13)17(16)20-19(18)22/h5-10H,3-4,11H2,1-2H3
InChIKeyHBFGSEYBWCLXHG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.63
Rot. Bonds4

About 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one

9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one (PubChem CID 56651940) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one.

Molecular Properties

Compound Name9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one
PubChem CID56651940
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one
SMILESCCCCN(C)C1=C2C(=NC1=O)c1cccc3cccc2c13
InChIInChI=1S/C19H18N2O/c1-3-4-11-21(2)18-16-13-9-5-7-12-8-6-10-14(15(12)13)17(16)20-19(18)22/h5-10H,3-4,11H2,1-2H3
InChIKeyHBFGSEYBWCLXHG-UHFFFAOYSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one?
The IUPAC name of 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one (CID 56651940) is 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one.
What is the SMILES notation for 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one?
The canonical SMILES for 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one is CCCCN(C)C1=C2C(=NC1=O)c1cccc3cccc2c13.
What is the InChIKey of 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one?
The InChIKey is HBFGSEYBWCLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-4-11-21(2)18-16-13-9-5-7-12-8-6-10-14(15(12)13)17(16)20-19(18)22/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one?
9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one has a molecular weight of 290.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[butyl(methyl)amino]acenaphthyleno[2,1-b]pyrrol-8-one is sourced from PubChem (CID 56651940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).