1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride

C9H17ClN2O2 — CID 139244707

IUPAC1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride
SMILESCC1(C)C=C(C(N)=O)C(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C9H16N2O2.ClH/c1-8(2)5-6(7(10)12)9(3,4)11(8)13;/h5,13H,1-4H3,(H2,10,12);1H
InChIKeyZROGDQSYGXGDJL-UHFFFAOYSA-N
MW220.70 g/mol
LogP-3.75
Rot. Bonds1

About 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride

1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride (PubChem CID 139244707) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride
PubChem CID139244707
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride
SMILESCC1(C)C=C(C(N)=O)C(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C9H16N2O2.ClH/c1-8(2)5-6(7(10)12)9(3,4)11(8)13;/h5,13H,1-4H3,(H2,10,12);1H
InChIKeyZROGDQSYGXGDJL-UHFFFAOYSA-N
XLogP-3.75
TPSA67.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 5-3.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride (CID 139244707) is 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride is CC1(C)C=C(C(N)=O)C(C)(C)[NH+]1O.[Cl-].
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride?
The InChIKey is ZROGDQSYGXGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-8(2)5-6(7(10)12)9(3,4)11(8)13;/h5,13H,1-4H3,(H2,10,12);1H.
What are the key properties of 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride?
1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride has a molecular weight of 220.70 g/mol, XLogP of -3.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide chloride is sourced from PubChem (CID 139244707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).