8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile

C15H6N2O — CID 54582410

IUPAC8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1=O)c1cccc3cccc2c13
InChIInChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H
InChIKeyVQYSTSIAUDPRJH-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.46
Rot. Bonds

About 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile

8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile (PubChem CID 54582410) has the molecular formula C15H6N2O and a molecular weight of 230.23 g/mol. Its IUPAC name is 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile.

Molecular Properties

Compound Name8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile
PubChem CID54582410
Molecular FormulaC15H6N2O
Molecular Weight230.23 g/mol
Exact Mass230.05
IUPAC Name8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1=O)c1cccc3cccc2c13
InChIInChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H
InChIKeyVQYSTSIAUDPRJH-UHFFFAOYSA-N
XLogP2.46
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The IUPAC name of 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile (CID 54582410) is 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile.
What is the SMILES notation for 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The canonical SMILES for 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile is N#CC1=C2C(=NC1=O)c1cccc3cccc2c13.
What is the InChIKey of 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The InChIKey is VQYSTSIAUDPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H.
What are the key properties of 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile is sourced from PubChem (CID 54582410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).