4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

C9H13IN2O — CID 168679994

IUPAC4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc(I)cn1C
InChIInChI=1S/C9H13IN2O/c1-6(2)11-9(13)8-4-7(10)5-12(8)3/h4-6H,1-3H3,(H,11,13)
InChIKeyOFIMQMTYJOCLBS-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.77
Rot. Bonds2

About 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 168679994) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID168679994
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc(I)cn1C
InChIInChI=1S/C9H13IN2O/c1-6(2)11-9(13)8-4-7(10)5-12(8)3/h4-6H,1-3H3,(H,11,13)
InChIKeyOFIMQMTYJOCLBS-UHFFFAOYSA-N
XLogP1.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 134450659
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
methyl (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47337732
(4-iodo-1-methylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 168680016
methyl 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]propanoate
CID 60701979
(4-iodo-1-methylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 168680018
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoate
CID 60701457
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 115666649

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (CID 168679994) is 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is CC(C)NC(=O)c1cc(I)cn1C.
What is the InChIKey of 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is OFIMQMTYJOCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-6(2)11-9(13)8-4-7(10)5-12(8)3/h4-6H,1-3H3,(H,11,13).
What are the key properties of 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 292.12 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 168679994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).