N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide

C11H13N3O2 — CID 138111840

IUPACN'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
SMILESNC(=NO)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H13N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H2,12,13)
InChIKeyUYEUKGSMKHUITP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.79
Rot. Bonds2

About N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide

N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide (PubChem CID 138111840) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
PubChem CID138111840
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
SMILESNC(=NO)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H13N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H2,12,13)
InChIKeyUYEUKGSMKHUITP-UHFFFAOYSA-N
XLogP0.79
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
CID 125449083
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
(3S)-1-(3-chloro-4-fluorophenyl)-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 125126376
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide (CID 138111840) is N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide is NC(=NO)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide?
The InChIKey is UYEUKGSMKHUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide?
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide has a molecular weight of 219.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide is sourced from PubChem (CID 138111840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).