N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide

C11H18N4O2 — CID 114654656

IUPACN'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
SMILESCN1CCOC(Cn2cccc2/C(N)=N/O)C1
InChIInChI=1S/C11H18N4O2/c1-14-5-6-17-9(7-14)8-15-4-2-3-10(15)11(12)13-16/h2-4,9,16H,5-8H2,1H3,(H2,12,13)
InChIKeyYGBAOQAVROKDSJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.09
Rot. Bonds3

About N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide

N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide (PubChem CID 114654656) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
PubChem CID114654656
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
SMILESCN1CCOC(Cn2cccc2/C(N)=N/O)C1
InChIInChI=1S/C11H18N4O2/c1-14-5-6-17-9(7-14)8-15-4-2-3-10(15)11(12)13-16/h2-4,9,16H,5-8H2,1H3,(H2,12,13)
InChIKeyYGBAOQAVROKDSJ-UHFFFAOYSA-N
XLogP-0.09
TPSA76.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
CID 103139606
1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
CID 79172400
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
CID 78932017
N-[[1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methyl]ethanamine
CID 79171525
[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanol
CID 79182796
[1-[(4-methylmorpholin-2-yl)methyl]indol-7-yl]methanol
CID 102912313
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
[1-[(4-methylmorpholin-2-yl)methyl]indol-5-yl]methanol
CID 102912893

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide (CID 114654656) is N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide is CN1CCOC(Cn2cccc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide?
The InChIKey is YGBAOQAVROKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-5-6-17-9(7-14)8-15-4-2-3-10(15)11(12)13-16/h2-4,9,16H,5-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide?
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide is sourced from PubChem (CID 114654656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).