N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide

C11H17N3O2 — CID 103139606

IUPACN'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
SMILESCC1CCC(Cn2cccc2/C(N)=N/O)O1
InChIInChI=1S/C11H17N3O2/c1-8-4-5-9(16-8)7-14-6-2-3-10(14)11(12)13-15/h2-3,6,8-9,15H,4-5,7H2,1H3,(H2,12,13)
InChIKeyCRGIMXQVAFKVMW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.15
Rot. Bonds3

About N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide

N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide (PubChem CID 103139606) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
PubChem CID103139606
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
SMILESCC1CCC(Cn2cccc2/C(N)=N/O)O1
InChIInChI=1S/C11H17N3O2/c1-8-4-5-9(16-8)7-14-6-2-3-10(14)11(12)13-15/h2-3,6,8-9,15H,4-5,7H2,1H3,(H2,12,13)
InChIKeyCRGIMXQVAFKVMW-UHFFFAOYSA-N
XLogP1.15
TPSA72.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
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-1-(oxan-4-ylmethyl)pyrrole-2-carboximidamide
CID 114654757
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
CID 114654656
1-[(5-methyloxolan-2-yl)methyl]indole-4-carbothioamide
CID 107919424
N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 103136333
[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
CID 103138035
[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanol
CID 103136251
N'-hydroxy-1-(3,3,3-trifluoropropyl)pyrrole-2-carboximidamide
CID 114654762
N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
CID 114654828
1-(3-ethylsulfanylpropyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654881
N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 114196061
1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
CID 145143851

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide (CID 103139606) is N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide is CC1CCC(Cn2cccc2/C(N)=N/O)O1.
What is the InChIKey of N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide?
The InChIKey is CRGIMXQVAFKVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-5-9(16-8)7-14-6-2-3-10(14)11(12)13-15/h2-3,6,8-9,15H,4-5,7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide?
N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide is sourced from PubChem (CID 103139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).