2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine

C10H9N5O — CID 168592825

IUPAC2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2c(c1)C(=O)N=C2
InChIInChI=1S/C10H9N5O/c11-10(12)15-14-4-6-1-2-7-5-13-9(16)8(7)3-6/h1-5H,(H4,11,12,15)
InChIKeyOMOMWPQAKSFBCA-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.13
Rot. Bonds2

About 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine

2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine (PubChem CID 168592825) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine
PubChem CID168592825
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2c(c1)C(=O)N=C2
InChIInChI=1S/C10H9N5O/c11-10(12)15-14-4-6-1-2-7-5-13-9(16)8(7)3-6/h1-5H,(H4,11,12,15)
InChIKeyOMOMWPQAKSFBCA-UHFFFAOYSA-N
XLogP-0.13
TPSA106.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.13
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine (CID 168592825) is 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc2c(c1)C(=O)N=C2.
What is the InChIKey of 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine?
The InChIKey is OMOMWPQAKSFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-10(12)15-14-4-6-1-2-7-5-13-9(16)8(7)3-6/h1-5H,(H4,11,12,15).
What are the key properties of 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine?
2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine has a molecular weight of 215.22 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 2-[(3-oxoisoindol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 168592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).