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

C17H10N2O — CID 70886518

IUPAC3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile
SMILESCCc1ccc2c3c(cccc13)C1=NC(=O)C(C#N)=C12
InChIInChI=1S/C17H10N2O/c1-2-9-6-7-11-14-10(9)4-3-5-12(14)16-15(11)13(8-18)17(20)19-16/h3-7H,2H2,1H3
InChIKeyRRVPTDXSYIWDOI-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.02
Rot. Bonds1

About 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile

3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile (PubChem CID 70886518) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile.

Molecular Properties

Compound Name3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile
PubChem CID70886518
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile
SMILESCCc1ccc2c3c(cccc13)C1=NC(=O)C(C#N)=C12
InChIInChI=1S/C17H10N2O/c1-2-9-6-7-11-14-10(9)4-3-5-12(14)16-15(11)13(8-18)17(20)19-16/h3-7H,2H2,1H3
InChIKeyRRVPTDXSYIWDOI-UHFFFAOYSA-N
XLogP3.02
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile?
The IUPAC name of 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile (CID 70886518) is 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile.
What is the SMILES notation for 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile?
The canonical SMILES for 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile is CCc1ccc2c3c(cccc13)C1=NC(=O)C(C#N)=C12.
What is the InChIKey of 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile?
The InChIKey is RRVPTDXSYIWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c1-2-9-6-7-11-14-10(9)4-3-5-12(14)16-15(11)13(8-18)17(20)19-16/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile?
3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile is sourced from PubChem (CID 70886518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).