4-iodo-1-methyl-N-propylpyrrole-2-carboxamide

C9H13IN2O — CID 168679993

IUPAC4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(I)cn1C
InChIInChI=1S/C9H13IN2O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCJTKMZGLSRNPAH-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.77
Rot. Bonds3

About 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide

4-iodo-1-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 168679993) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
PubChem CID168679993
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(I)cn1C
InChIInChI=1S/C9H13IN2O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCJTKMZGLSRNPAH-UHFFFAOYSA-N
XLogP1.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide
CID 156823683
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 168679994
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 140567735
1-methyl-4-nitro-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100818
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
3-methyl-N-propyltriazole-4-carboxamide
CID 130733384
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 97443112
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide (CID 168679993) is 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide is CCCNC(=O)c1cc(I)cn1C.
What is the InChIKey of 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is CJTKMZGLSRNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 4-iodo-1-methyl-N-propylpyrrole-2-carboxamide?
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 292.12 g/mol, XLogP of 1.77, 3 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-propylpyrrole-2-carboxamide is sourced from PubChem (CID 168679993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).