4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid

C10H12INO2 — CID 114606643

IUPAC4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid
SMILESCC1CC1Cn1cc(I)cc1C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-2-7(6)4-12-5-8(11)3-9(12)10(13)14/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyRTMIGHUWMHPUOV-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.45
Rot. Bonds3

About 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid

4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid (PubChem CID 114606643) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid
PubChem CID114606643
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid
SMILESCC1CC1Cn1cc(I)cc1C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-2-7(6)4-12-5-8(11)3-9(12)10(13)14/h3,5-7H,2,4H2,1H3,(H,13,14)
InChIKeyRTMIGHUWMHPUOV-UHFFFAOYSA-N
XLogP2.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.45
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-iodo-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxylic acid
CID 114605948
4-iodo-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
CID 114604123
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid
CID 130504623
1-(2-cyclohexylethyl)-4-iodopyrrole-2-carboxylic acid
CID 114604177
4-iodo-1-(2-methylsulfinylethyl)pyrrole-2-carboxylic acid
CID 114606745
4-iodo-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 114605170
4-iodo-1-(3-methylcyclopentyl)pyrrole-2-carboxylic acid
CID 114606976
1-[2-[ethyl(methyl)amino]ethyl]-4-iodopyrrole-2-carboxylic acid
CID 114605102
4-iodo-1-(7-methyloctyl)pyrrole-2-carboxylic acid
CID 107817732
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromopyrrole-2-carboxylic acid
CID 114605439
1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
CID 114606710

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid?
The IUPAC name of 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid (CID 114606643) is 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid is CC1CC1Cn1cc(I)cc1C(=O)O.
What is the InChIKey of 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid?
The InChIKey is RTMIGHUWMHPUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-6-2-7(6)4-12-5-8(11)3-9(12)10(13)14/h3,5-7H,2,4H2,1H3,(H,13,14).
What are the key properties of 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid?
4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 305.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114606643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).