2-(4-propoxyindol-1-yl)acetohydrazide

C13H17N3O2 — CID 83163365

IUPAC2-(4-propoxyindol-1-yl)acetohydrazide
SMILESCCCOc1cccc2c1ccn2CC(=O)NN
InChIInChI=1S/C13H17N3O2/c1-2-8-18-12-5-3-4-11-10(12)6-7-16(11)9-13(17)15-14/h3-7H,2,8-9,14H2,1H3,(H,15,17)
InChIKeyCXRZNMYYDQZJLS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.42
Rot. Bonds5

About 2-(4-propoxyindol-1-yl)acetohydrazide

2-(4-propoxyindol-1-yl)acetohydrazide (PubChem CID 83163365) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-propoxyindol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-propoxyindol-1-yl)acetohydrazide
PubChem CID83163365
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4-propoxyindol-1-yl)acetohydrazide
SMILESCCCOc1cccc2c1ccn2CC(=O)NN
InChIInChI=1S/C13H17N3O2/c1-2-8-18-12-5-3-4-11-10(12)6-7-16(11)9-13(17)15-14/h3-7H,2,8-9,14H2,1H3,(H,15,17)
InChIKeyCXRZNMYYDQZJLS-UHFFFAOYSA-N
XLogP1.42
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyindol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-propoxyindol-1-yl)acetohydrazide (CID 83163365) is 2-(4-propoxyindol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-propoxyindol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-propoxyindol-1-yl)acetohydrazide is CCCOc1cccc2c1ccn2CC(=O)NN.
What is the InChIKey of 2-(4-propoxyindol-1-yl)acetohydrazide?
The InChIKey is CXRZNMYYDQZJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-8-18-12-5-3-4-11-10(12)6-7-16(11)9-13(17)15-14/h3-7H,2,8-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(4-propoxyindol-1-yl)acetohydrazide?
2-(4-propoxyindol-1-yl)acetohydrazide has a molecular weight of 247.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyindol-1-yl)acetohydrazide is sourced from PubChem (CID 83163365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).