N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide

C11H12N4O — CID 135848703

IUPACN,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide
SMILESCN(C)/C=N/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N4O/c1-15(2)7-12-14-10-8-5-3-4-6-9(8)13-11(10)16/h3-7H,1-2H3,(H,13,14,16)/b12-7+
InChIKeyAJTYEIOQNVHRSW-KPKJPENVSA-N
MW216.24 g/mol
LogP0.93
Rot. Bonds2

About N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide

N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide (PubChem CID 135848703) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide
PubChem CID135848703
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide
SMILESCN(C)/C=N/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N4O/c1-15(2)7-12-14-10-8-5-3-4-6-9(8)13-11(10)16/h3-7H,1-2H3,(H,13,14,16)/b12-7+
InChIKeyAJTYEIOQNVHRSW-KPKJPENVSA-N
XLogP0.93
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide 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 N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide (CID 135848703) is N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide is CN(C)/C=N/N=C1/C(=O)Nc2ccccc21.
What is the InChIKey of N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide?
The InChIKey is AJTYEIOQNVHRSW-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)7-12-14-10-8-5-3-4-6-9(8)13-11(10)16/h3-7H,1-2H3,(H,13,14,16)/b12-7+.
What are the key properties of N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide?
N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide has a molecular weight of 216.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(E)-(2-oxo-1H-indol-3-ylidene)amino]methanimidamide is sourced from PubChem (CID 135848703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).