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

C16H23N3O — CID 76928015

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H23N3O/c17-16(18-20)13-8-3-4-9-15(13)19-11-5-10-14(19)12-6-1-2-7-12/h3-4,8-9,12,14,20H,1-2,5-7,10-11H2,(H2,17,18)
InChIKeyWOSOVJSOFJAGHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds3

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

2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76928015) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID76928015
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H23N3O/c17-16(18-20)13-8-3-4-9-15(13)19-11-5-10-14(19)12-6-1-2-7-12/h3-4,8-9,12,14,20H,1-2,5-7,10-11H2,(H2,17,18)
InChIKeyWOSOVJSOFJAGHL-UHFFFAOYSA-N
XLogP2.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.94
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

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]benzenecarbothioamide
CID 102726420
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004498
2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79515430
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929996
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82749806
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]propan-1-one
CID 102726715
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102726568
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-aminobenzoic acid
CID 115544942
2-amino-3-(2-cyclopentylpyrrolidin-1-yl)benzoic acid
CID 115545694
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 76928015) is 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is WOSOVJSOFJAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(18-20)13-8-3-4-9-15(13)19-11-5-10-14(19)12-6-1-2-7-12/h3-4,8-9,12,14,20H,1-2,5-7,10-11H2,(H2,17,18).
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.38 g/mol, XLogP of 2.94, 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)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76928015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).