5-ethyl-1-propylpyrrole-2-carbohydrazide

C10H17N3O — CID 100792537

IUPAC5-ethyl-1-propylpyrrole-2-carbohydrazide
SMILESCCCn1c(CC)ccc1C(=O)NN
InChIInChI=1S/C10H17N3O/c1-3-7-13-8(4-2)5-6-9(13)10(14)12-11/h5-6H,3-4,7,11H2,1-2H3,(H,12,14)
InChIKeyIUKIDYDHOZTSPK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.06
Rot. Bonds4

About 5-ethyl-1-propylpyrrole-2-carbohydrazide

5-ethyl-1-propylpyrrole-2-carbohydrazide (PubChem CID 100792537) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-ethyl-1-propylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-1-propylpyrrole-2-carbohydrazide
PubChem CID100792537
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-ethyl-1-propylpyrrole-2-carbohydrazide
SMILESCCCn1c(CC)ccc1C(=O)NN
InChIInChI=1S/C10H17N3O/c1-3-7-13-8(4-2)5-6-9(13)10(14)12-11/h5-6H,3-4,7,11H2,1-2H3,(H,12,14)
InChIKeyIUKIDYDHOZTSPK-UHFFFAOYSA-N
XLogP1.06
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propylpyrrole-2-carbohydrazide?
The IUPAC name of 5-ethyl-1-propylpyrrole-2-carbohydrazide (CID 100792537) is 5-ethyl-1-propylpyrrole-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-1-propylpyrrole-2-carbohydrazide?
The canonical SMILES for 5-ethyl-1-propylpyrrole-2-carbohydrazide is CCCn1c(CC)ccc1C(=O)NN.
What is the InChIKey of 5-ethyl-1-propylpyrrole-2-carbohydrazide?
The InChIKey is IUKIDYDHOZTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-7-13-8(4-2)5-6-9(13)10(14)12-11/h5-6H,3-4,7,11H2,1-2H3,(H,12,14).
What are the key properties of 5-ethyl-1-propylpyrrole-2-carbohydrazide?
5-ethyl-1-propylpyrrole-2-carbohydrazide has a molecular weight of 195.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propylpyrrole-2-carbohydrazide is sourced from PubChem (CID 100792537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).