5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide

C7H10N4O — CID 136628976

IUPAC5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(CO)[nH]1
InChIInChI=1S/C7H10N4O/c8-4-10-7(9)6-2-1-5(3-12)11-6/h1-2,4,11-12H,3H2,(H3,8,9,10)
InChIKeyDPXOYXYVMSDQOI-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.18
Rot. Bonds3

About 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide

5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide (PubChem CID 136628976) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide
PubChem CID136628976
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(CO)[nH]1
InChIInChI=1S/C7H10N4O/c8-4-10-7(9)6-2-1-5(3-12)11-6/h1-2,4,11-12H,3H2,(H3,8,9,10)
InChIKeyDPXOYXYVMSDQOI-UHFFFAOYSA-N
XLogP-0.18
TPSA98.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
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 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide?
The IUPAC name of 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide (CID 136628976) is 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide.
What is the SMILES notation for 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide?
The canonical SMILES for 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide is [H]/N=C/N=C(\N)c1ccc(CO)[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide?
The InChIKey is DPXOYXYVMSDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-4-10-7(9)6-2-1-5(3-12)11-6/h1-2,4,11-12H,3H2,(H3,8,9,10).
What are the key properties of 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide?
5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide has a molecular weight of 166.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N'-methanimidoyl-1H-pyrrole-2-carboximidamide is sourced from PubChem (CID 136628976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).