4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide

C11H17N3O2 — CID 1482690

IUPAC4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C11H17N3O2/c1-3-7(4-2)10(15)8-5-9(13-6-8)11(16)14-12/h5-7,13H,3-4,12H2,1-2H3,(H,14,16)
InChIKeyVEUYKHJPBOBCRE-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.24
Rot. Bonds5

About 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide

4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 1482690) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID1482690
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C11H17N3O2/c1-3-7(4-2)10(15)8-5-9(13-6-8)11(16)14-12/h5-7,13H,3-4,12H2,1-2H3,(H,14,16)
InChIKeyVEUYKHJPBOBCRE-UHFFFAOYSA-N
XLogP1.24
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide (CID 1482690) is 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide is CCC(CC)C(=O)c1c[nH]c(C(=O)NN)c1.
What is the InChIKey of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is VEUYKHJPBOBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-7(4-2)10(15)8-5-9(13-6-8)11(16)14-12/h5-7,13H,3-4,12H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide?
4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 223.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 1482690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).