2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine

C15H15N5O — CID 88512223

IUPAC2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine
SMILESCN(C1=CC(C)(C)Oc2ccc(C#N)cc21)/C(N)=N/C#N
InChIInChI=1S/C15H15N5O/c1-15(2)7-12(20(3)14(18)19-9-17)11-6-10(8-16)4-5-13(11)21-15/h4-7H,1-3H3,(H2,18,19)
InChIKeyAORFZRKZULIBEV-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.80
Rot. Bonds1

About 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine

2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine (PubChem CID 88512223) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine
PubChem CID88512223
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine
SMILESCN(C1=CC(C)(C)Oc2ccc(C#N)cc21)/C(N)=N/C#N
InChIInChI=1S/C15H15N5O/c1-15(2)7-12(20(3)14(18)19-9-17)11-6-10(8-16)4-5-13(11)21-15/h4-7H,1-3H3,(H2,18,19)
InChIKeyAORFZRKZULIBEV-UHFFFAOYSA-N
XLogP1.80
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine?
The IUPAC name of 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine (CID 88512223) is 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine.
What is the SMILES notation for 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine?
The canonical SMILES for 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine is CN(C1=CC(C)(C)Oc2ccc(C#N)cc21)/C(N)=N/C#N.
What is the InChIKey of 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine?
The InChIKey is AORFZRKZULIBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-15(2)7-12(20(3)14(18)19-9-17)11-6-10(8-16)4-5-13(11)21-15/h4-7H,1-3H3,(H2,18,19).
What are the key properties of 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine?
2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine has a molecular weight of 281.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine is sourced from PubChem (CID 88512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).