1-butyl-3-ethyl-4-phenylpyrrole

C16H21N — CID 15420916

IUPAC1-butyl-3-ethyl-4-phenylpyrrole
SMILESCCCCn1cc(CC)c(-c2ccccc2)c1
InChIInChI=1S/C16H21N/c1-3-5-11-17-12-14(4-2)16(13-17)15-9-7-6-8-10-15/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyOZVQVHRDQNCGMX-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.52
Rot. Bonds5

About 1-butyl-3-ethyl-4-phenylpyrrole

1-butyl-3-ethyl-4-phenylpyrrole (PubChem CID 15420916) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-butyl-3-ethyl-4-phenylpyrrole.

Molecular Properties

Compound Name1-butyl-3-ethyl-4-phenylpyrrole
PubChem CID15420916
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-butyl-3-ethyl-4-phenylpyrrole
SMILESCCCCn1cc(CC)c(-c2ccccc2)c1
InChIInChI=1S/C16H21N/c1-3-5-11-17-12-14(4-2)16(13-17)15-9-7-6-8-10-15/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyOZVQVHRDQNCGMX-UHFFFAOYSA-N
XLogP4.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-ethyl-4-phenylpyrrole
CID 15420918
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
1,1'-biphenyl;hexadecane
CID 173308514
1-butyl-2-phenylimidazole-4-carboxylic acid
CID 142669495
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium
CID 11058815
gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-4-phenylpyrrole?
The IUPAC name of 1-butyl-3-ethyl-4-phenylpyrrole (CID 15420916) is 1-butyl-3-ethyl-4-phenylpyrrole.
What is the SMILES notation for 1-butyl-3-ethyl-4-phenylpyrrole?
The canonical SMILES for 1-butyl-3-ethyl-4-phenylpyrrole is CCCCn1cc(CC)c(-c2ccccc2)c1.
What is the InChIKey of 1-butyl-3-ethyl-4-phenylpyrrole?
The InChIKey is OZVQVHRDQNCGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-5-11-17-12-14(4-2)16(13-17)15-9-7-6-8-10-15/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 1-butyl-3-ethyl-4-phenylpyrrole?
1-butyl-3-ethyl-4-phenylpyrrole has a molecular weight of 227.35 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-4-phenylpyrrole is sourced from PubChem (CID 15420916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).