N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide

C11H15N3O2 — CID 76981328

IUPACN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C11H15N3O2/c12-11(13-16)8-1-3-9(4-2-8)14-6-5-10(15)7-14/h1-4,10,15-16H,5-7H2,(H2,12,13)
InChIKeyFTLFAUJGPCFUNN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.35
Rot. Bonds2

About N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide

N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 76981328) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
PubChem CID76981328
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C11H15N3O2/c12-11(13-16)8-1-3-9(4-2-8)14-6-5-10(15)7-14/h1-4,10,15-16H,5-7H2,(H2,12,13)
InChIKeyFTLFAUJGPCFUNN-UHFFFAOYSA-N
XLogP0.35
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 43188193
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
1-phenylpyrrolidin-3-ol
CID 11171152
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
tert-butyl N-[(3R)-1-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 173094586
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
CID 136990546
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide (CID 76981328) is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide is NC(=NO)c1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is FTLFAUJGPCFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-11(13-16)8-1-3-9(4-2-8)14-6-5-10(15)7-14/h1-4,10,15-16H,5-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 221.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76981328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).