N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide

C14H19N3O2 — CID 77036177

IUPACN'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
SMILESCc1ccc(CC(=O)N2CCCC2C(N)=NO)cc1
InChIInChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)9-13(18)17-8-2-3-12(17)14(15)16-19/h4-7,12,19H,2-3,8-9H2,1H3,(H2,15,16)
InChIKeyNPNPJFDUBWTFLI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.27
Rot. Bonds3

About N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide

N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide (PubChem CID 77036177) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
PubChem CID77036177
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
SMILESCc1ccc(CC(=O)N2CCCC2C(N)=NO)cc1
InChIInChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)9-13(18)17-8-2-3-12(17)14(15)16-19/h4-7,12,19H,2-3,8-9H2,1H3,(H2,15,16)
InChIKeyNPNPJFDUBWTFLI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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

1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide (CID 77036177) is N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide is Cc1ccc(CC(=O)N2CCCC2C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide?
The InChIKey is NPNPJFDUBWTFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)9-13(18)17-8-2-3-12(17)14(15)16-19/h4-7,12,19H,2-3,8-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide?
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide has a molecular weight of 261.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).