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

C15H8N2 — CID 91614796

IUPAC8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1)c1cccc3cccc2c13
InChIInChI=1S/C15H8N2/c16-7-10-8-17-15-12-6-2-4-9-3-1-5-11(13(9)12)14(10)15/h1-6H,8H2
InChIKeyCZZMJGWYRNPKFD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.93
Rot. Bonds

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

8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile (PubChem CID 91614796) has the molecular formula C15H8N2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile.

Molecular Properties

Compound Name8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
PubChem CID91614796
Molecular FormulaC15H8N2
Molecular Weight216.24 g/mol
Exact Mass216.07
IUPAC Name8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile
SMILESN#CC1=C2C(=NC1)c1cccc3cccc2c13
InChIInChI=1S/C15H8N2/c16-7-10-8-17-15-12-6-2-4-9-3-1-5-11(13(9)12)14(10)15/h1-6H,8H2
InChIKeyCZZMJGWYRNPKFD-UHFFFAOYSA-N
XLogP2.93
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The IUPAC name of 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile (CID 91614796) is 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile.
What is the SMILES notation for 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The canonical SMILES for 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile is N#CC1=C2C(=NC1)c1cccc3cccc2c13.
What is the InChIKey of 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
The InChIKey is CZZMJGWYRNPKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2/c16-7-10-8-17-15-12-6-2-4-9-3-1-5-11(13(9)12)14(10)15/h1-6H,8H2.
What are the key properties of 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile?
8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-acenaphthyleno[2,1-b]pyrrole-9-carbonitrile is sourced from PubChem (CID 91614796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).