2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole

C13H15NO — CID 131698353

IUPAC2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole
SMILESCCc1ccc(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C13H15NO/c1-3-11-6-9-13(14-11)10-4-7-12(15-2)8-5-10/h4-9,14H,3H2,1-2H3
InChIKeyPRNGJNYYUNWTOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.25
Rot. Bonds3

About 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole

2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole (PubChem CID 131698353) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole
PubChem CID131698353
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole
SMILESCCc1ccc(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C13H15NO/c1-3-11-6-9-13(14-11)10-4-7-12(15-2)8-5-10/h4-9,14H,3H2,1-2H3
InChIKeyPRNGJNYYUNWTOX-UHFFFAOYSA-N
XLogP3.25
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-ethyl-1H-pyrrol-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 100792221
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
1,3-diethylbenzene;1,4-diethylbenzene;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)benzene;pentahydrate
CID 159257334
4-ethoxy-6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 24976004
N-ethyl-6-(4-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491866
7-chloro-2-(4-methoxyphenyl)-1H-indole
CID 131886896
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole (CID 131698353) is 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole is CCc1ccc(-c2ccc(OC)cc2)[nH]1.
What is the InChIKey of 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole?
The InChIKey is PRNGJNYYUNWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-11-6-9-13(14-11)10-4-7-12(15-2)8-5-10/h4-9,14H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole?
2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole has a molecular weight of 201.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 131698353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).