N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide

C11H17N3O3 — CID 78861087

IUPACN'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(C)OCCC(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(2)17-7-5-10(15)13-14-11(16)9-4-3-6-12-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDISJIFSGHDULHG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.59
Rot. Bonds5

About N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide

N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78861087) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78861087
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(C)OCCC(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(2)17-7-5-10(15)13-14-11(16)9-4-3-6-12-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDISJIFSGHDULHG-UHFFFAOYSA-N
XLogP0.59
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
CID 78814112
N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78872257
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38036526
N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78816084
N'-[(Z)-2-methylpent-2-enoyl]-1H-pyrrole-2-carbohydrazide
CID 78862676
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893897
N-(2-hydroxyethoxy)-1H-pyrrole-2-carboxamide
CID 141207168

Frequently Asked Questions

What is the IUPAC name of N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide (CID 78861087) is N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide is CC(C)OCCC(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is DISJIFSGHDULHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)17-7-5-10(15)13-14-11(16)9-4-3-6-12-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide?
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 239.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78861087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).