4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide

C7H10N4 — CID 135227385

IUPAC4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide
SMILESC=C/N=C(\N)C1=C(N)CC=N1
InChIInChI=1S/C7H10N4/c1-2-10-7(9)6-5(8)3-4-11-6/h2,4H,1,3,8H2,(H2,9,10)
InChIKeySMNWUNCUSFADPE-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.13
Rot. Bonds2

About 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide

4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide (PubChem CID 135227385) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide
PubChem CID135227385
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide
SMILESC=C/N=C(\N)C1=C(N)CC=N1
InChIInChI=1S/C7H10N4/c1-2-10-7(9)6-5(8)3-4-11-6/h2,4H,1,3,8H2,(H2,9,10)
InChIKeySMNWUNCUSFADPE-UHFFFAOYSA-N
XLogP0.13
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide?
The IUPAC name of 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide (CID 135227385) is 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide.
What is the SMILES notation for 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide?
The canonical SMILES for 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide is C=C/N=C(\N)C1=C(N)CC=N1.
What is the InChIKey of 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide?
The InChIKey is SMNWUNCUSFADPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-2-10-7(9)6-5(8)3-4-11-6/h2,4H,1,3,8H2,(H2,9,10).
What are the key properties of 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide?
4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide has a molecular weight of 150.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide is sourced from PubChem (CID 135227385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).