N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide

C10H18N2O — CID 723465

IUPACN,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)6-7(8(13)11-5)10(3,4)12-9/h6,12H,1-5H3,(H,11,13)
InChIKeyKFINLKGFGRJYMY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds1

About N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide

N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide (PubChem CID 723465) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
PubChem CID723465
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)6-7(8(13)11-5)10(3,4)12-9/h6,12H,1-5H3,(H,11,13)
InChIKeyKFINLKGFGRJYMY-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
CID 88255
N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305438
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
(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)azanium
CID 170843996
1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]piperidine
CID 4053223
N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305435
N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305439
1-(2-Aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 19818565
1-(3-Aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 19818566

Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide (CID 723465) is N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide is CNC(=O)C1=CC(C)(C)NC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The InChIKey is KFINLKGFGRJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)6-7(8(13)11-5)10(3,4)12-9/h6,12H,1-5H3,(H,11,13).
What are the key properties of N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 723465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).