(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide

C17H10N4 — CID 623067

IUPAC(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide
SMILESCc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C17H10N4/c1-11-6-7-14-15(8-11)17(21-10-19)13-5-3-2-4-12(13)16(14)20-9-18/h2-8H,1H3/b20-16+,21-17+
InChIKeyWHCIPYSDFHEULY-NWILIBCHSA-N
MW270.30 g/mol
LogP2.95
Rot. Bonds

About (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide

(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide (PubChem CID 623067) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide.

Molecular Properties

Compound Name(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide
PubChem CID623067
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide
SMILESCc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C17H10N4/c1-11-6-7-14-15(8-11)17(21-10-19)13-5-3-2-4-12(13)16(14)20-9-18/h2-8H,1H3/b20-16+,21-17+
InChIKeyWHCIPYSDFHEULY-NWILIBCHSA-N
XLogP2.95
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide?
The IUPAC name of (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide (CID 623067) is (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide.
What is the SMILES notation for (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide?
The canonical SMILES for (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide is Cc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N.
What is the InChIKey of (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide?
The InChIKey is WHCIPYSDFHEULY-NWILIBCHSA-N. The full InChI is InChI=1S/C17H10N4/c1-11-6-7-14-15(8-11)17(21-10-19)13-5-3-2-4-12(13)16(14)20-9-18/h2-8H,1H3/b20-16+,21-17+.
What are the key properties of (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide?
(10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide has a molecular weight of 270.30 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-cyanoimino-2-methylanthracen-9-ylidene)cyanamide is sourced from PubChem (CID 623067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).