5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide

C15H21N3O3 — CID 63570883

IUPAC5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
SMILESNNC(=O)CCCCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H21N3O3/c16-17-14(19)7-1-2-10-21-13-6-3-5-12(11-13)18-9-4-8-15(18)20/h3,5-6,11H,1-2,4,7-10,16H2,(H,17,19)
InChIKeyBSFMQQRSFXJZLI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.35
Rot. Bonds7

About 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide

5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide (PubChem CID 63570883) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide.

Molecular Properties

Compound Name5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
PubChem CID63570883
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
SMILESNNC(=O)CCCCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H21N3O3/c16-17-14(19)7-1-2-10-21-13-6-3-5-12(11-13)18-9-4-8-15(18)20/h3,5-6,11H,1-2,4,7-10,16H2,(H,17,19)
InChIKeyBSFMQQRSFXJZLI-UHFFFAOYSA-N
XLogP1.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728487
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide?
The IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide (CID 63570883) is 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide.
What is the SMILES notation for 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide?
The canonical SMILES for 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide is NNC(=O)CCCCOc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide?
The InChIKey is BSFMQQRSFXJZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-17-14(19)7-1-2-10-21-13-6-3-5-12(11-13)18-9-4-8-15(18)20/h3,5-6,11H,1-2,4,7-10,16H2,(H,17,19).
What are the key properties of 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide?
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide has a molecular weight of 291.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide is sourced from PubChem (CID 63570883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).