N-(diaminomethylidene)-9-oxofluorene-2-carboxamide

C15H11N3O2 — CID 23151734

IUPACN-(diaminomethylidene)-9-oxofluorene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7H,(H4,16,17,18,20)
InChIKeyMYUBWXIRYYRNNG-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.31
Rot. Bonds1

About N-(diaminomethylidene)-9-oxofluorene-2-carboxamide

N-(diaminomethylidene)-9-oxofluorene-2-carboxamide (PubChem CID 23151734) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-9-oxofluorene-2-carboxamide
PubChem CID23151734
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-(diaminomethylidene)-9-oxofluorene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C15H11N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7H,(H4,16,17,18,20)
InChIKeyMYUBWXIRYYRNNG-UHFFFAOYSA-N
XLogP1.31
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-(diaminomethylidene)-9-oxofluorene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-9-oxofluorene-2-carboxamide (CID 23151734) is N-(diaminomethylidene)-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-9-oxofluorene-2-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)-9-oxofluorene-2-carboxamide?
The InChIKey is MYUBWXIRYYRNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7H,(H4,16,17,18,20).
What are the key properties of N-(diaminomethylidene)-9-oxofluorene-2-carboxamide?
N-(diaminomethylidene)-9-oxofluorene-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 23151734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).