2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide

C14H21N3O3 — CID 103358703

IUPAC2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
SMILESCC1(O)CCN(CCOc2ccccc2C(=O)NN)C1
InChIInChI=1S/C14H21N3O3/c1-14(19)6-7-17(10-14)8-9-20-12-5-3-2-4-11(12)13(18)16-15/h2-5,19H,6-10,15H2,1H3,(H,16,18)
InChIKeyBXJMHJGSJAMLJC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.13
Rot. Bonds5

About 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide

2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide (PubChem CID 103358703) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
PubChem CID103358703
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
SMILESCC1(O)CCN(CCOc2ccccc2C(=O)NN)C1
InChIInChI=1S/C14H21N3O3/c1-14(19)6-7-17(10-14)8-9-20-12-5-3-2-4-11(12)13(18)16-15/h2-5,19H,6-10,15H2,1H3,(H,16,18)
InChIKeyBXJMHJGSJAMLJC-UHFFFAOYSA-N
XLogP0.13
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide (CID 103358703) is 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide is CC1(O)CCN(CCOc2ccccc2C(=O)NN)C1.
What is the InChIKey of 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide?
The InChIKey is BXJMHJGSJAMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(19)6-7-17(10-14)8-9-20-12-5-3-2-4-11(12)13(18)16-15/h2-5,19H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide?
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide has a molecular weight of 279.34 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 103358703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).