N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide

C11H19N3O2 — CID 114654828

IUPACN'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
SMILESCC(C)(C)OCCn1cccc1/C(N)=N/O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-8-7-14-6-4-5-9(14)10(12)13-15/h4-6,15H,7-8H2,1-3H3,(H2,12,13)
InChIKeyTYNLKIACNUEDKU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds4

About N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide

N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide (PubChem CID 114654828) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
PubChem CID114654828
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide
SMILESCC(C)(C)OCCn1cccc1/C(N)=N/O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-8-7-14-6-4-5-9(14)10(12)13-15/h4-6,15H,7-8H2,1-3H3,(H2,12,13)
InChIKeyTYNLKIACNUEDKU-UHFFFAOYSA-N
XLogP1.40
TPSA72.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide (CID 114654828) is N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide is CC(C)(C)OCCn1cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide?
The InChIKey is TYNLKIACNUEDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)16-8-7-14-6-4-5-9(14)10(12)13-15/h4-6,15H,7-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide?
N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide has a molecular weight of 225.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrole-2-carboximidamide is sourced from PubChem (CID 114654828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).