2-(4-methylindol-1-yl)propanehydrazide

C12H15N3O — CID 63577949

IUPAC2-(4-methylindol-1-yl)propanehydrazide
SMILESCc1cccc2c1ccn2C(C)C(=O)NN
InChIInChI=1S/C12H15N3O/c1-8-4-3-5-11-10(8)6-7-15(11)9(2)12(16)14-13/h3-7,9H,13H2,1-2H3,(H,14,16)
InChIKeyFMQUERVASKKRGK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.50
Rot. Bonds2

About 2-(4-methylindol-1-yl)propanehydrazide

2-(4-methylindol-1-yl)propanehydrazide (PubChem CID 63577949) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-methylindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-methylindol-1-yl)propanehydrazide
PubChem CID63577949
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4-methylindol-1-yl)propanehydrazide
SMILESCc1cccc2c1ccn2C(C)C(=O)NN
InChIInChI=1S/C12H15N3O/c1-8-4-3-5-11-10(8)6-7-15(11)9(2)12(16)14-13/h3-7,9H,13H2,1-2H3,(H,14,16)
InChIKeyFMQUERVASKKRGK-UHFFFAOYSA-N
XLogP1.50
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.50
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'}

Analyze 2-(4-methylindol-1-yl)propanehydrazide 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

methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450
2-(6-cyanoindol-1-yl)propanehydrazide
CID 107917648
2-methyl-N-(1-propan-2-ylindol-4-yl)propanamide
CID 71706625
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
(4-methylindol-1-yl)-tri(propan-2-yl)-λ4-sulfane
CID 143901623
methyl 3-methyl-2-[3-(4-methylindol-1-yl)propanoylamino]butanoate
CID 118985854
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylindol-1-yl)propanehydrazide?
The IUPAC name of 2-(4-methylindol-1-yl)propanehydrazide (CID 63577949) is 2-(4-methylindol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-methylindol-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-methylindol-1-yl)propanehydrazide is Cc1cccc2c1ccn2C(C)C(=O)NN.
What is the InChIKey of 2-(4-methylindol-1-yl)propanehydrazide?
The InChIKey is FMQUERVASKKRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-3-5-11-10(8)6-7-15(11)9(2)12(16)14-13/h3-7,9H,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-methylindol-1-yl)propanehydrazide?
2-(4-methylindol-1-yl)propanehydrazide has a molecular weight of 217.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylindol-1-yl)propanehydrazide is sourced from PubChem (CID 63577949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).