N'-acetyl-1H-indole-3-carbohydrazide

C11H11N3O2 — CID 4271892

IUPACN'-acetyl-1H-indole-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7(15)13-14-11(16)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3,(H,13,15)(H,14,16)
InChIKeyCHLPZRQPTYGHAA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.95
Rot. Bonds1

About N'-acetyl-1H-indole-3-carbohydrazide

N'-acetyl-1H-indole-3-carbohydrazide (PubChem CID 4271892) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N'-acetyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1H-indole-3-carbohydrazide
PubChem CID4271892
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN'-acetyl-1H-indole-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7(15)13-14-11(16)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3,(H,13,15)(H,14,16)
InChIKeyCHLPZRQPTYGHAA-UHFFFAOYSA-N
XLogP0.95
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
CID 29494435
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-acetyl-1H-indole-3-carbohydrazide (CID 4271892) is N'-acetyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-acetyl-1H-indole-3-carbohydrazide is CC(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-acetyl-1H-indole-3-carbohydrazide?
The InChIKey is CHLPZRQPTYGHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7(15)13-14-11(16)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-1H-indole-3-carbohydrazide?
N'-acetyl-1H-indole-3-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 4271892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).