4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid

C10H12BrNO2 — CID 114605862

IUPAC4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1CCC1CC1
InChIInChI=1S/C10H12BrNO2/c11-8-5-9(10(13)14)12(6-8)4-3-7-1-2-7/h5-7H,1-4H2,(H,13,14)
InChIKeyOVCZFIWRZNFZAW-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.75
Rot. Bonds4

About 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid

4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid (PubChem CID 114605862) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid
PubChem CID114605862
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1CCC1CC1
InChIInChI=1S/C10H12BrNO2/c11-8-5-9(10(13)14)12(6-8)4-3-7-1-2-7/h5-7H,1-4H2,(H,13,14)
InChIKeyOVCZFIWRZNFZAW-UHFFFAOYSA-N
XLogP2.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[2-(oxan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 106003546
4-bromo-1-[(3-methylcyclopentyl)methyl]pyrrole-2-carboxylic acid
CID 107414896
1-(2-cyclohexylethyl)-4-iodopyrrole-2-carboxylic acid
CID 114604177
4-chloro-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrole-2-carboxylic acid
CID 114606965
4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid
CID 114604802
4-bromo-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxylic acid
CID 114605109
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromopyrrole-2-carboxylic acid
CID 114605439
4-bromo-1-(2,2-dimethylbutyl)pyrrole-2-carboxylic acid
CID 103463798
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
4-bromo-1-(2,3,3-trimethylbutyl)pyrrole-2-carboxylic acid
CID 114606478

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid (CID 114605862) is 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1CCC1CC1.
What is the InChIKey of 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid?
The InChIKey is OVCZFIWRZNFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-5-9(10(13)14)12(6-8)4-3-7-1-2-7/h5-7H,1-4H2,(H,13,14).
What are the key properties of 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid?
4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid has a molecular weight of 258.11 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-cyclopropylethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114605862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).