N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide

C12H15N3O2 — CID 116847960

IUPACN',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
SMILESCN(C)NC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H15N3O2/c1-14(2)13-12(17)8-4-5-10-9(6-8)7-11(16)15(10)3/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyLLIDZYSRCCEFNK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.41
Rot. Bonds2

About N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide

N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide (PubChem CID 116847960) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide.

Molecular Properties

Compound NameN',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
PubChem CID116847960
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
SMILESCN(C)NC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H15N3O2/c1-14(2)13-12(17)8-4-5-10-9(6-8)7-11(16)15(10)3/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyLLIDZYSRCCEFNK-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
CID 116916336
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
CID 110383921
N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
CID 115166052

Frequently Asked Questions

What is the IUPAC name of N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide?
The IUPAC name of N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide (CID 116847960) is N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide.
What is the SMILES notation for N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide?
The canonical SMILES for N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide is CN(C)NC(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide?
The InChIKey is LLIDZYSRCCEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(2)13-12(17)8-4-5-10-9(6-8)7-11(16)15(10)3/h4-6H,7H2,1-3H3,(H,13,17).
What are the key properties of N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide?
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide has a molecular weight of 233.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide is sourced from PubChem (CID 116847960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).