10-aminoanthracene-9-carbonitrile

C15H10N2 — CID 14241793

IUPAC10-aminoanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(N)c2ccccc12
InChIInChI=1S/C15H10N2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,17H2
InChIKeyMZDBQLSFZHDKDQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.45
Rot. Bonds

About 10-aminoanthracene-9-carbonitrile

10-aminoanthracene-9-carbonitrile (PubChem CID 14241793) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 10-aminoanthracene-9-carbonitrile.

Molecular Properties

Compound Name10-aminoanthracene-9-carbonitrile
PubChem CID14241793
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name10-aminoanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(N)c2ccccc12
InChIInChI=1S/C15H10N2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,17H2
InChIKeyMZDBQLSFZHDKDQ-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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Related Compounds

2-Aminoanthracene
CID 11937
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
6-Aminochrysene
CID 17534
2-Methyl-1-naphthylamine
CID 16733
9-Aminophenanthrene
CID 13695
2-Aminopyrene
CID 107762
4-Aminopyrene
CID 119443
3-Phenanthrylamine
CID 74691
9-Aminoanthracene
CID 13069
(+-)-1,1'-Binaphthyl-2,2'-diamine
CID 20571
2-Phenanthrenamine
CID 76893

Frequently Asked Questions

What is the IUPAC name of 10-aminoanthracene-9-carbonitrile?
The IUPAC name of 10-aminoanthracene-9-carbonitrile (CID 14241793) is 10-aminoanthracene-9-carbonitrile.
What is the SMILES notation for 10-aminoanthracene-9-carbonitrile?
The canonical SMILES for 10-aminoanthracene-9-carbonitrile is N#Cc1c2ccccc2c(N)c2ccccc12.
What is the InChIKey of 10-aminoanthracene-9-carbonitrile?
The InChIKey is MZDBQLSFZHDKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,17H2.
What are the key properties of 10-aminoanthracene-9-carbonitrile?
10-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 10-aminoanthracene-9-carbonitrile is sourced from PubChem (CID 14241793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).