N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide

C13H17N3O2 — CID 116847020

IUPACN'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-8(13(18)15-14-2)9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,18)
InChIKeyASKHPSCZLLNENX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.56
Rot. Bonds3

About N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide

N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide (PubChem CID 116847020) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide.

Molecular Properties

Compound NameN'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
PubChem CID116847020
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-8(13(18)15-14-2)9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,18)
InChIKeyASKHPSCZLLNENX-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
CID 119317931
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The IUPAC name of N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide (CID 116847020) is N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide.
What is the SMILES notation for N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The canonical SMILES for N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide is CNNC(=O)C(C)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The InChIKey is ASKHPSCZLLNENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(13(18)15-14-2)9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,18).
What are the key properties of N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide is sourced from PubChem (CID 116847020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).