N-(diaminomethylidene)-5-methylfuran-2-carboxamide

C7H9N3O2 — CID 3046470

IUPACN-(diaminomethylidene)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(12-4)6(11)10-7(8)9/h2-3H,1H3,(H4,8,9,10,11)
InChIKeyGEZANQQYEXADQK-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.00
Rot. Bonds1

About N-(diaminomethylidene)-5-methylfuran-2-carboxamide

N-(diaminomethylidene)-5-methylfuran-2-carboxamide (PubChem CID 3046470) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methylfuran-2-carboxamide
PubChem CID3046470
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(diaminomethylidene)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(12-4)6(11)10-7(8)9/h2-3H,1H3,(H4,8,9,10,11)
InChIKeyGEZANQQYEXADQK-UHFFFAOYSA-N
XLogP0.00
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.00
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)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-methylfuran-2-carboxamide (CID 3046470) is N-(diaminomethylidene)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N=C(N)N)o1.
What is the InChIKey of N-(diaminomethylidene)-5-methylfuran-2-carboxamide?
The InChIKey is GEZANQQYEXADQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-2-3-5(12-4)6(11)10-7(8)9/h2-3H,1H3,(H4,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-5-methylfuran-2-carboxamide?
N-(diaminomethylidene)-5-methylfuran-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 3046470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).