1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid

C10H15IN2O2 — CID 114606394

IUPAC1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid
SMILESCC(CN(C)C)n1cc(I)cc1C(=O)O
InChIInChI=1S/C10H15IN2O2/c1-7(5-12(2)3)13-6-8(11)4-9(13)10(14)15/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyHIEHNNDRJKOTBF-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.91
Rot. Bonds4

About 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid

1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid (PubChem CID 114606394) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid
PubChem CID114606394
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid
SMILESCC(CN(C)C)n1cc(I)cc1C(=O)O
InChIInChI=1S/C10H15IN2O2/c1-7(5-12(2)3)13-6-8(11)4-9(13)10(14)15/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyHIEHNNDRJKOTBF-UHFFFAOYSA-N
XLogP1.91
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-(7-methyloctyl)pyrrole-2-carboxylic acid
CID 107817732
4-iodo-1-(2-methyl-1-thiophen-2-ylpropyl)pyrrole-2-carboxylic acid
CID 114604547
4-iodo-1-(2-methylsulfinylethyl)pyrrole-2-carboxylic acid
CID 114606745
ethyl 1-[1-(dimethylamino)propan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate
CID 59416186
1-[2-[ethyl(methyl)amino]ethyl]-4-iodopyrrole-2-carboxylic acid
CID 114605102
4-acetyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 114603028
1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
CID 114606710
4-iodo-1-(3-methylsulfanylbutyl)pyrrole-2-carboxylic acid
CID 114606827
1-[1-(dimethylamino)propan-2-yl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 82949869
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
5-amino-1-[1-(dimethylamino)propan-2-yl]pyridin-2-one
CID 165479908
4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
CID 169444011

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid (CID 114606394) is 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid is CC(CN(C)C)n1cc(I)cc1C(=O)O.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid?
The InChIKey is HIEHNNDRJKOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-7(5-12(2)3)13-6-8(11)4-9(13)10(14)15/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid?
1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid has a molecular weight of 322.15 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-4-iodopyrrole-2-carboxylic acid is sourced from PubChem (CID 114606394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).