1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one

C13H17N3O2 — CID 168530961

IUPAC1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
SMILESNN=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H17N3O2/c14-15-10-11-4-1-2-5-12(11)18-9-8-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,14H2
InChIKeyNPEZKJUSLLNBKE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one

1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 168530961) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID168530961
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
SMILESNN=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H17N3O2/c14-15-10-11-4-1-2-5-12(11)18-9-8-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,14H2
InChIKeyNPEZKJUSLLNBKE-UHFFFAOYSA-N
XLogP0.98
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
CID 168591840
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168630703
1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168627759
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
[2-(3-piperidin-1-ylpropoxy)phenyl]methylidenehydrazine
CID 168530377
2-[4-oxo-2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 168621889
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one (CID 168530961) is 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one is NN=Cc1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is NPEZKJUSLLNBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-15-10-11-4-1-2-5-12(11)18-9-8-16-7-3-6-13(16)17/h1-2,4-5,10H,3,6-9,14H2.
What are the key properties of 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168530961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).