1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid

C17H19NO2 — CID 43671663

IUPAC1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)n2C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-2-3-12-4-6-13(7-5-12)15-10-11-16(17(19)20)18(15)14-8-9-14/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyPZLKVRXMILSNFA-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.14
Rot. Bonds5

About 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid

1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid (PubChem CID 43671663) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid
PubChem CID43671663
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)n2C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-2-3-12-4-6-13(7-5-12)15-10-11-16(17(19)20)18(15)14-8-9-14/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyPZLKVRXMILSNFA-UHFFFAOYSA-N
XLogP4.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092874
1-cyclopropyl-5-(2,4-dimethylphenyl)pyrrole-2-carboxylic acid
CID 43671774
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 103587118
ethane;4-propylbenzoic acid
CID 91047964
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
5-(4-nitrophenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671989
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid (CID 43671663) is 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid is CCCc1ccc(-c2ccc(C(=O)O)n2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is PZLKVRXMILSNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-12-4-6-13(7-5-12)15-10-11-16(17(19)20)18(15)14-8-9-14/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).