2-aminoanthracene-9-carbonitrile

C15H10N2 — CID 23131319

IUPAC2-aminoanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2cc2ccc(N)cc12
InChIInChI=1S/C15H10N2/c16-9-15-13-4-2-1-3-10(13)7-11-5-6-12(17)8-14(11)15/h1-8H,17H2
InChIKeyYIEJDJXRALXZRZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.45
Rot. Bonds

About 2-aminoanthracene-9-carbonitrile

2-aminoanthracene-9-carbonitrile (PubChem CID 23131319) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-aminoanthracene-9-carbonitrile.

Molecular Properties

Compound Name2-aminoanthracene-9-carbonitrile
PubChem CID23131319
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name2-aminoanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2cc2ccc(N)cc12
InChIInChI=1S/C15H10N2/c16-9-15-13-4-2-1-3-10(13)7-11-5-6-12(17)8-14(11)15/h1-8H,17H2
InChIKeyYIEJDJXRALXZRZ-UHFFFAOYSA-N
XLogP3.45
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoanthracene-9-carbonitrile?
The IUPAC name of 2-aminoanthracene-9-carbonitrile (CID 23131319) is 2-aminoanthracene-9-carbonitrile.
What is the SMILES notation for 2-aminoanthracene-9-carbonitrile?
The canonical SMILES for 2-aminoanthracene-9-carbonitrile is N#Cc1c2ccccc2cc2ccc(N)cc12.
What is the InChIKey of 2-aminoanthracene-9-carbonitrile?
The InChIKey is YIEJDJXRALXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-9-15-13-4-2-1-3-10(13)7-11-5-6-12(17)8-14(11)15/h1-8H,17H2.
What are the key properties of 2-aminoanthracene-9-carbonitrile?
2-aminoanthracene-9-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoanthracene-9-carbonitrile is sourced from PubChem (CID 23131319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).