1-propanoylindole-3-carbohydrazide

C12H13N3O2 — CID 91690174

IUPAC1-propanoylindole-3-carbohydrazide
SMILESCCC(=O)n1cc(C(=O)NN)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-2-11(16)15-7-9(12(17)14-13)8-5-3-4-6-10(8)15/h3-7H,2,13H2,1H3,(H,14,17)
InChIKeyLPLDFHUDDKIEKT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.29
Rot. Bonds2

About 1-propanoylindole-3-carbohydrazide

1-propanoylindole-3-carbohydrazide (PubChem CID 91690174) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-propanoylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-propanoylindole-3-carbohydrazide
PubChem CID91690174
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-propanoylindole-3-carbohydrazide
SMILESCCC(=O)n1cc(C(=O)NN)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-2-11(16)15-7-9(12(17)14-13)8-5-3-4-6-10(8)15/h3-7H,2,13H2,1H3,(H,14,17)
InChIKeyLPLDFHUDDKIEKT-UHFFFAOYSA-N
XLogP1.29
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-[2-(4-bromophenoxy)-2-methylpropanoyl]indole-3-carbohydrazide
CID 99971117
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
1-(3-ethylindol-1-yl)-2-iodoethanone
CID 142121181
1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
CID 91690734
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852

Frequently Asked Questions

What is the IUPAC name of 1-propanoylindole-3-carbohydrazide?
The IUPAC name of 1-propanoylindole-3-carbohydrazide (CID 91690174) is 1-propanoylindole-3-carbohydrazide.
What is the SMILES notation for 1-propanoylindole-3-carbohydrazide?
The canonical SMILES for 1-propanoylindole-3-carbohydrazide is CCC(=O)n1cc(C(=O)NN)c2ccccc21.
What is the InChIKey of 1-propanoylindole-3-carbohydrazide?
The InChIKey is LPLDFHUDDKIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-11(16)15-7-9(12(17)14-13)8-5-3-4-6-10(8)15/h3-7H,2,13H2,1H3,(H,14,17).
What are the key properties of 1-propanoylindole-3-carbohydrazide?
1-propanoylindole-3-carbohydrazide has a molecular weight of 231.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylindole-3-carbohydrazide is sourced from PubChem (CID 91690174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).