(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide

C12H10N4 — CID 15321801

IUPAC(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide
SMILESN#C/N=C1\C=C/C(=N\C#N)C2=C1CCCC2
InChIInChI=1S/C12H10N4/c13-7-15-11-5-6-12(16-8-14)10-4-2-1-3-9(10)11/h5-6H,1-4H2/b15-11+,16-12+
InChIKeyWFIBMPFFRPXYGD-JOBJLJCHSA-N
MW210.24 g/mol
LogP2.27
Rot. Bonds

About (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide

(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide (PubChem CID 15321801) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide
PubChem CID15321801
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide
SMILESN#C/N=C1\C=C/C(=N\C#N)C2=C1CCCC2
InChIInChI=1S/C12H10N4/c13-7-15-11-5-6-12(16-8-14)10-4-2-1-3-9(10)11/h5-6H,1-4H2/b15-11+,16-12+
InChIKeyWFIBMPFFRPXYGD-JOBJLJCHSA-N
XLogP2.27
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', '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-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide?
The IUPAC name of (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide (CID 15321801) is (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide.
What is the SMILES notation for (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide?
The canonical SMILES for (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide is N#C/N=C1\C=C/C(=N\C#N)C2=C1CCCC2.
What is the InChIKey of (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide?
The InChIKey is WFIBMPFFRPXYGD-JOBJLJCHSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-15-11-5-6-12(16-8-14)10-4-2-1-3-9(10)11/h5-6H,1-4H2/b15-11+,16-12+.
What are the key properties of (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide?
(4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide has a molecular weight of 210.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide is sourced from PubChem (CID 15321801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).