N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide

C14H19N3O2 — CID 76975453

IUPACN'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
SMILESCC1CCCN1C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10-6-5-9-17(10)14(18)12(13(15)16-19)11-7-3-2-4-8-11/h2-4,7-8,10,12,19H,5-6,9H2,1H3,(H2,15,16)
InChIKeyGBYGXFLZZGBZJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds3

About N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide

N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide (PubChem CID 76975453) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
PubChem CID76975453
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
SMILESCC1CCCN1C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10-6-5-9-17(10)14(18)12(13(15)16-19)11-7-3-2-4-8-11/h2-4,7-8,10,12,19H,5-6,9H2,1H3,(H2,15,16)
InChIKeyGBYGXFLZZGBZJC-UHFFFAOYSA-N
XLogP1.53
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
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

3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 115561045
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975484
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
3-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 77016553
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184
3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 76975438
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
CID 95338642
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476
2-(dimethylamino)-N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
CID 134270265
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide (CID 76975453) is N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide is CC1CCCN1C(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide?
The InChIKey is GBYGXFLZZGBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-5-9-17(10)14(18)12(13(15)16-19)11-7-3-2-4-8-11/h2-4,7-8,10,12,19H,5-6,9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide?
N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide is sourced from PubChem (CID 76975453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).