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

C11H10N4O2 — CID 6610714

IUPAC1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C11H10N4O2/c1-15(11(12)13)14-8-9(16)6-4-2-3-5-7(6)10(8)17/h2-5H,1H3,(H3,12,13)
InChIKeyMBEAQTGLYSYTAQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.92
Rot. Bonds1

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

1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine (PubChem CID 6610714) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine.

Molecular Properties

Compound Name1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine
PubChem CID6610714
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C11H10N4O2/c1-15(11(12)13)14-8-9(16)6-4-2-3-5-7(6)10(8)17/h2-5H,1H3,(H3,12,13)
InChIKeyMBEAQTGLYSYTAQ-UHFFFAOYSA-N
XLogP-0.92
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.92
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'}

Analyze 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine 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 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine?
The IUPAC name of 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine (CID 6610714) is 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine.
What is the SMILES notation for 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine?
The canonical SMILES for 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine is [H]/N=C(\N)N(C)N=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine?
The InChIKey is MBEAQTGLYSYTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-15(11(12)13)14-8-9(16)6-4-2-3-5-7(6)10(8)17/h2-5H,1H3,(H3,12,13).
What are the key properties of 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine?
1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine has a molecular weight of 230.23 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dioxoinden-2-ylidene)amino]-1-methylguanidine is sourced from PubChem (CID 6610714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).