2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide

C16H22FN3O — CID 79515430

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H22FN3O/c17-12-7-3-8-14(15(12)16(18)19-21)20-10-4-9-13(20)11-5-1-2-6-11/h3,7-8,11,13,21H,1-2,4-6,9-10H2,(H2,18,19)
InChIKeyMSGJMEZIXDLMAT-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79515430) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79515430
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H22FN3O/c17-12-7-3-8-14(15(12)16(18)19-21)20-10-4-9-13(20)11-5-1-2-6-11/h3,7-8,11,13,21H,1-2,4-6,9-10H2,(H2,18,19)
InChIKeyMSGJMEZIXDLMAT-UHFFFAOYSA-N
XLogP3.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79515430) is 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(F)cccc1N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is MSGJMEZIXDLMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-7-3-8-14(15(12)16(18)19-21)20-10-4-9-13(20)11-5-1-2-6-11/h3,7-8,11,13,21H,1-2,4-6,9-10H2,(H2,18,19).
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79515430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).