1-methylindole-3-carbohydrazide

C10H11N3O — CID 819866

IUPAC1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NN)c2ccccc21
InChIInChI=1S/C10H11N3O/c1-13-6-8(10(14)12-11)7-4-2-3-5-9(7)13/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKMYZDVOJRUTMEA-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.78
Rot. Bonds1

About 1-methylindole-3-carbohydrazide

1-methylindole-3-carbohydrazide (PubChem CID 819866) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-methylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-methylindole-3-carbohydrazide
PubChem CID819866
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NN)c2ccccc21
InChIInChI=1S/C10H11N3O/c1-13-6-8(10(14)12-11)7-4-2-3-5-9(7)13/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKMYZDVOJRUTMEA-UHFFFAOYSA-N
XLogP0.78
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Xlr 11
CID 57501498
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
CID 54752945
N-(1-Adamantyl)-1-pentyl-1H-indole-3-carboxamide
CID 71308155
5-Fluoro CUMYL-PICA
CID 117650397
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864

Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-carbohydrazide?
The IUPAC name of 1-methylindole-3-carbohydrazide (CID 819866) is 1-methylindole-3-carbohydrazide.
What is the SMILES notation for 1-methylindole-3-carbohydrazide?
The canonical SMILES for 1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NN)c2ccccc21.
What is the InChIKey of 1-methylindole-3-carbohydrazide?
The InChIKey is KMYZDVOJRUTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-6-8(10(14)12-11)7-4-2-3-5-9(7)13/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 1-methylindole-3-carbohydrazide?
1-methylindole-3-carbohydrazide has a molecular weight of 189.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-carbohydrazide is sourced from PubChem (CID 819866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).