(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide

C17H10N4 — CID 102005508

IUPAC(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide
SMILESCC1=C/C(=N\C#N)c2cc3ccccc3cc2/C1=N/C#N
InChIInChI=1S/C17H10N4/c1-11-6-16(20-9-18)14-7-12-4-2-3-5-13(12)8-15(14)17(11)21-10-19/h2-8H,1H3/b20-16+,21-17+
InChIKeyKTJXJBYOUDBYNJ-NWILIBCHSA-N
MW270.30 g/mol
LogP3.34
Rot. Bonds

About (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide

(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide (PubChem CID 102005508) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide
PubChem CID102005508
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide
SMILESCC1=C/C(=N\C#N)c2cc3ccccc3cc2/C1=N/C#N
InChIInChI=1S/C17H10N4/c1-11-6-16(20-9-18)14-7-12-4-2-3-5-13(12)8-15(14)17(11)21-10-19/h2-8H,1H3/b20-16+,21-17+
InChIKeyKTJXJBYOUDBYNJ-NWILIBCHSA-N
XLogP3.34
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 ≤ 53.34
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 (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide?
The IUPAC name of (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide (CID 102005508) is (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide.
What is the SMILES notation for (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide?
The canonical SMILES for (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide is CC1=C/C(=N\C#N)c2cc3ccccc3cc2/C1=N/C#N.
What is the InChIKey of (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide?
The InChIKey is KTJXJBYOUDBYNJ-NWILIBCHSA-N. The full InChI is InChI=1S/C17H10N4/c1-11-6-16(20-9-18)14-7-12-4-2-3-5-13(12)8-15(14)17(11)21-10-19/h2-8H,1H3/b20-16+,21-17+.
What are the key properties of (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide?
(4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide has a molecular weight of 270.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanoimino-2-methylanthracen-1-ylidene)cyanamide is sourced from PubChem (CID 102005508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).