2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine

C14H19N5O2 — CID 168591840

IUPAC2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H19N5O2/c15-14(16)18-17-10-11-4-1-2-5-12(11)21-9-8-19-7-3-6-13(19)20/h1-2,4-5,10H,3,6-9H2,(H4,15,16,18)
InChIKeyBVJILFGWBBCVGD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.30
Rot. Bonds6

About 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine

2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine (PubChem CID 168591840) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
PubChem CID168591840
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H19N5O2/c15-14(16)18-17-10-11-4-1-2-5-12(11)21-9-8-19-7-3-6-13(19)20/h1-2,4-5,10H,3,6-9H2,(H4,15,16,18)
InChIKeyBVJILFGWBBCVGD-UHFFFAOYSA-N
XLogP0.30
TPSA106.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168630703
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-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168627759
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-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
1-[2-(6-pyridin-2-ylpyridazin-3-yl)oxyethyl]pyrrolidin-2-one
CID 130251387
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine (CID 168591840) is 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine?
The InChIKey is BVJILFGWBBCVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-14(16)18-17-10-11-4-1-2-5-12(11)21-9-8-19-7-3-6-13(19)20/h1-2,4-5,10H,3,6-9H2,(H4,15,16,18).
What are the key properties of 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine?
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine has a molecular weight of 289.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).