8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile

C15H8N2O — CID 174448180

IUPAC8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1O)c1cccc3cccc2c13
InChIInChI=1S/C15H8N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6,15,18H
InChIKeyOMFFWWQCVLOVGH-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds

About 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile

8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile (PubChem CID 174448180) has the molecular formula C15H8N2O and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
PubChem CID174448180
Molecular FormulaC15H8N2O
Molecular Weight232.24 g/mol
Exact Mass232.06
IUPAC Name8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1O)c1cccc3cccc2c13
InChIInChI=1S/C15H8N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6,15,18H
InChIKeyOMFFWWQCVLOVGH-UHFFFAOYSA-N
XLogP2.25
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The IUPAC name of 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile (CID 174448180) is 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile.
What is the SMILES notation for 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The canonical SMILES for 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile is N#CC1=C2C(=NC1O)c1cccc3cccc2c13.
What is the InChIKey of 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The InChIKey is OMFFWWQCVLOVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6,15,18H.
What are the key properties of 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile is sourced from PubChem (CID 174448180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).