1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide

C13H24N2O2 — CID 20764841

IUPAC1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide
SMILESCCCN(C)C(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-8-14(6)11(16)10-9-12(2,3)15(17)13(10,4)5/h9,17H,7-8H2,1-6H3
InChIKeyZFMDPDHSTCYMGJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds3

About 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide

1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide (PubChem CID 20764841) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide
PubChem CID20764841
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide
SMILESCCCN(C)C(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-8-14(6)11(16)10-9-12(2,3)15(17)13(10,4)5/h9,17H,7-8H2,1-6H3
InChIKeyZFMDPDHSTCYMGJ-UHFFFAOYSA-N
XLogP2.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
CID 10586139
CID 10586139
CID 10683353
CID 10683353
N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 46878311
CID 10966230
CID 10966230
CID 131843867
CID 131843867
1-[(1-Hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]pyrrole-2,5-dione
CID 23387250
1-(Hydroxyamino)oxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 57028988
CID 59126124
CID 59126124
N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 71048054
(3-Carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl)oxidanium
CID 141972401

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide?
The IUPAC name of 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide (CID 20764841) is 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide is CCCN(C)C(=O)C1=CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide?
The InChIKey is ZFMDPDHSTCYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-8-14(6)11(16)10-9-12(2,3)15(17)13(10,4)5/h9,17H,7-8H2,1-6H3.
What are the key properties of 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide?
1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N,2,2,5,5-pentamethyl-N-propylpyrrole-3-carboxamide is sourced from PubChem (CID 20764841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).