1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

C9H17N3O3 — CID 57028988

IUPAC1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1ONO
InChIInChI=1S/C9H17N3O3/c1-8(2)5-6(7(10)13)9(3,4)12(8)15-11-14/h5,11,14H,1-4H3,(H2,10,13)
InChIKeyQAULOZCONGMPBT-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.10
Rot. Bonds3

About 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 57028988) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID57028988
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1ONO
InChIInChI=1S/C9H17N3O3/c1-8(2)5-6(7(10)13)9(3,4)12(8)15-11-14/h5,11,14H,1-4H3,(H2,10,13)
InChIKeyQAULOZCONGMPBT-UHFFFAOYSA-N
XLogP0.10
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
CID 88255
3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy
CID 592762
1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide
CID 76703
N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 10705289
3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolinyl acetate
CID 706798
CID 10966230
CID 10966230
CID 131843867
CID 131843867
CID 134862829
CID 134862829
1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride
CID 139244707
(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)azanium
CID 170843996
2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide 1-Oxyl Free Radical
CID 5058786
1H-Pyrrolium, 3-(aminocarbonyl)-2,5-dihydro-2,2,5,5-tetramethyl-1-oxo-
CID 6424243

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 57028988) is 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(N)=O)C(C)(C)N1ONO.
What is the InChIKey of 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is QAULOZCONGMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-8(2)5-6(7(10)13)9(3,4)12(8)15-11-14/h5,11,14H,1-4H3,(H2,10,13).
What are the key properties of 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 57028988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).