N'-cyano-2,5-dihydropyrrole-1-carboximidamide

C6H8N4 — CID 118593777

IUPACN'-cyano-2,5-dihydropyrrole-1-carboximidamide
SMILESN#C/N=C(\N)N1CC=CC1
InChIInChI=1S/C6H8N4/c7-5-9-6(8)10-3-1-2-4-10/h1-2H,3-4H2,(H2,8,9)
InChIKeyVSXGQMBWHVQWJJ-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.35
Rot. Bonds

About N'-cyano-2,5-dihydropyrrole-1-carboximidamide

N'-cyano-2,5-dihydropyrrole-1-carboximidamide (PubChem CID 118593777) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N'-cyano-2,5-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-2,5-dihydropyrrole-1-carboximidamide
PubChem CID118593777
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN'-cyano-2,5-dihydropyrrole-1-carboximidamide
SMILESN#C/N=C(\N)N1CC=CC1
InChIInChI=1S/C6H8N4/c7-5-9-6(8)10-3-1-2-4-10/h1-2H,3-4H2,(H2,8,9)
InChIKeyVSXGQMBWHVQWJJ-UHFFFAOYSA-N
XLogP-0.35
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyano-2,5-dihydropyrrole-1-carboximidamide?
The IUPAC name of N'-cyano-2,5-dihydropyrrole-1-carboximidamide (CID 118593777) is N'-cyano-2,5-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for N'-cyano-2,5-dihydropyrrole-1-carboximidamide?
The canonical SMILES for N'-cyano-2,5-dihydropyrrole-1-carboximidamide is N#C/N=C(\N)N1CC=CC1.
What is the InChIKey of N'-cyano-2,5-dihydropyrrole-1-carboximidamide?
The InChIKey is VSXGQMBWHVQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-5-9-6(8)10-3-1-2-4-10/h1-2H,3-4H2,(H2,8,9).
What are the key properties of N'-cyano-2,5-dihydropyrrole-1-carboximidamide?
N'-cyano-2,5-dihydropyrrole-1-carboximidamide has a molecular weight of 136.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-2,5-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 118593777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).