4-(2-pyrrolidin-1-ylethoxy)benzohydrazide

C13H19N3O2 — CID 63570602

IUPAC4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-15-13(17)11-3-5-12(6-4-11)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-10,14H2,(H,15,17)
InChIKeyVELNYAPUZPBRQQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.76
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide

4-(2-pyrrolidin-1-ylethoxy)benzohydrazide (PubChem CID 63570602) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
PubChem CID63570602
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-15-13(17)11-3-5-12(6-4-11)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-10,14H2,(H,15,17)
InChIKeyVELNYAPUZPBRQQ-UHFFFAOYSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.76
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-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
CID 22137378
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide (CID 63570602) is 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide is NNC(=O)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide?
The InChIKey is VELNYAPUZPBRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-15-13(17)11-3-5-12(6-4-11)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-10,14H2,(H,15,17).
What are the key properties of 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide?
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxy)benzohydrazide is sourced from PubChem (CID 63570602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).