2-[(1,3-dioxoinden-2-ylidene)amino]guanidine

C10H8N4O2 — CID 5243951

IUPAC2-[(1,3-dioxoinden-2-ylidene)amino]guanidine
SMILESNC(N)=NN=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H8N4O2/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16/h1-4H,(H4,11,12,14)
InChIKeyYLTBYGKMMVUMSS-UHFFFAOYSA-N
MW216.20 g/mol
LogP-1.48
Rot. Bonds1

About 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine

2-[(1,3-dioxoinden-2-ylidene)amino]guanidine (PubChem CID 5243951) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(1,3-dioxoinden-2-ylidene)amino]guanidine
PubChem CID5243951
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-[(1,3-dioxoinden-2-ylidene)amino]guanidine
SMILESNC(N)=NN=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H8N4O2/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16/h1-4H,(H4,11,12,14)
InChIKeyYLTBYGKMMVUMSS-UHFFFAOYSA-N
XLogP-1.48
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine?
The IUPAC name of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine (CID 5243951) is 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine?
The canonical SMILES for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine is NC(N)=NN=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine?
The InChIKey is YLTBYGKMMVUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-10(12)14-13-7-8(15)5-3-1-2-4-6(5)9(7)16/h1-4H,(H4,11,12,14).
What are the key properties of 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine?
2-[(1,3-dioxoinden-2-ylidene)amino]guanidine has a molecular weight of 216.20 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoinden-2-ylidene)amino]guanidine is sourced from PubChem (CID 5243951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).