2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

C12H17IN4O — CID 110893074

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESC1CC(=O)N(C1)C2=CC=C(C=C2)CN=C(N)N.I
InChIInChI=1S/C12H16N4O.HI/c13-12(14)15-8-9-3-5-10(6-4-9)16-7-1-2-11(16)17;/h3-6H,1-2,7-8H2,(H4,13,14,15);1H
InChIKeyLYDRKVCOFXZJCL-UHFFFAOYSA-N
MW360.19 g/mol
LogP—
Rot. Bonds3

About 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110893074) has the molecular formula C12H17IN4O and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
PubChem CID110893074
Molecular FormulaC12H17IN4O
Molecular Weight360.19 g/mol
Exact Mass360.04
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESC1CC(=O)N(C1)C2=CC=C(C=C2)CN=C(N)N.I
InChIInChI=1S/C12H16N4O.HI/c13-12(14)15-8-9-3-5-10(6-4-9)16-7-1-2-11(16)17;/h3-6H,1-2,7-8H2,(H4,13,14,15);1H
InChIKeyLYDRKVCOFXZJCL-UHFFFAOYSA-N
XLogP—
TPSA84.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity304

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (CID 110893074) is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is C1CC(=O)N(C1)C2=CC=C(C=C2)CN=C(N)N.I.
What is the InChIKey of 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is LYDRKVCOFXZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.HI/c13-12(14)15-8-9-3-5-10(6-4-9)16-7-1-2-11(16)17;/h3-6H,1-2,7-8H2,(H4,13,14,15);1H.
What are the key properties of 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 360.19 g/mol, XLogP of not available, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110893074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).