4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide

C13H17N3O3 — CID 55213254

IUPAC4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C13H17N3O3/c14-15-13(18)10-3-5-11(6-4-10)19-9-8-16-7-1-2-12(16)17/h3-6H,1-2,7-9,14H2,(H,15,18)
InChIKeyZSVQZQOCPCUQGD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.29
Rot. Bonds5

About 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide

4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide (PubChem CID 55213254) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
PubChem CID55213254
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C13H17N3O3/c14-15-13(18)10-3-5-11(6-4-10)19-9-8-16-7-1-2-12(16)17/h3-6H,1-2,7-9,14H2,(H,15,18)
InChIKeyZSVQZQOCPCUQGD-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.29
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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Related Compounds

4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide (CID 55213254) is 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCN2CCCC2=O)cc1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide?
The InChIKey is ZSVQZQOCPCUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-15-13(18)10-3-5-11(6-4-10)19-9-8-16-7-1-2-12(16)17/h3-6H,1-2,7-9,14H2,(H,15,18).
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide?
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide has a molecular weight of 263.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 55213254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).