5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid

C14H15NO2 — CID 57435157

IUPAC5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C14H15NO2/c16-14(17)13-10-9-12(15-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17)
InChIKeyQQAZQHGXNJUBAP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.89
Rot. Bonds5

About 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid

5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 57435157) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid
PubChem CID57435157
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C14H15NO2/c16-14(17)13-10-9-12(15-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17)
InChIKeyQQAZQHGXNJUBAP-UHFFFAOYSA-N
XLogP2.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxylic acid
CID 22507269
(carboxyamino)carbamic acid;3-phenylpropylbenzene;hydroiodide
CID 162266552
CID 159131095
CID 159131095
1,4-bis(3-phenylpropyl)benzene
CID 59467322
1-(5-benzyl-1H-pyrrol-2-yl)ethanone
CID 156581411
5-(2,2-dimethylpropyl)-1H-pyrrole-2-carboxylic acid
CID 84718545
5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 69044636
5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
CID 168510098
4-phenylbutylbenzene
CID 141301927
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
4-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
CID 11845294
5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid
CID 145473584

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid (CID 57435157) is 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(CCCc2ccccc2)[nH]1.
What is the InChIKey of 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is QQAZQHGXNJUBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)13-10-9-12(15-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17).
What are the key properties of 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid?
5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 57435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).