1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile

C17H12N2 — CID 102035193

IUPAC1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile
SMILESC=Cn1c(C#N)ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2/c1-2-19-16(12-18)9-10-17(19)15-8-7-13-5-3-4-6-14(13)11-15/h2-11H,1H2
InChIKeyIIEZRZCLQADUCW-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.28
Rot. Bonds2

About 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile

1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile (PubChem CID 102035193) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile
PubChem CID102035193
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile
SMILESC=Cn1c(C#N)ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2/c1-2-19-16(12-18)9-10-17(19)15-8-7-13-5-3-4-6-14(13)11-15/h2-11H,1H2
InChIKeyIIEZRZCLQADUCW-UHFFFAOYSA-N
XLogP4.28
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile?
The IUPAC name of 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile (CID 102035193) is 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile?
The canonical SMILES for 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile is C=Cn1c(C#N)ccc1-c1ccc2ccccc2c1.
What is the InChIKey of 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile?
The InChIKey is IIEZRZCLQADUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-19-16(12-18)9-10-17(19)15-8-7-13-5-3-4-6-14(13)11-15/h2-11H,1H2.
What are the key properties of 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile?
1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-naphthalen-2-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 102035193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).