1-benzyl-3-ethyl-2-methylpyrrole

C14H17N — CID 135021751

IUPAC1-benzyl-3-ethyl-2-methylpyrrole
SMILESCCc1ccn(Cc2ccccc2)c1C
InChIInChI=1S/C14H17N/c1-3-14-9-10-15(12(14)2)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyWBNYLSMPKQJZGJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.41
Rot. Bonds3

About 1-benzyl-3-ethyl-2-methylpyrrole

1-benzyl-3-ethyl-2-methylpyrrole (PubChem CID 135021751) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-2-methylpyrrole.

Molecular Properties

Compound Name1-benzyl-3-ethyl-2-methylpyrrole
PubChem CID135021751
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-benzyl-3-ethyl-2-methylpyrrole
SMILESCCc1ccn(Cc2ccccc2)c1C
InChIInChI=1S/C14H17N/c1-3-14-9-10-15(12(14)2)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyWBNYLSMPKQJZGJ-UHFFFAOYSA-N
XLogP3.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-bromo-3-methylpyrrole
CID 139840264
1-benzyl-2-methylpyridin-4-one
CID 154013206
N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196044
N-[[2-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196023
ethylcyclodecapentaene
CID 90861705
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
N-[[1-[(4-iodophenyl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
CID 114196038
ethyl 1-benzyl-3-cyanopyrrole-2-carboxylate
CID 71403790
1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
3-ethyl-1-hexyl-2-methylpyrrole;pyridine
CID 174900706
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-2-methylpyrrole?
The IUPAC name of 1-benzyl-3-ethyl-2-methylpyrrole (CID 135021751) is 1-benzyl-3-ethyl-2-methylpyrrole.
What is the SMILES notation for 1-benzyl-3-ethyl-2-methylpyrrole?
The canonical SMILES for 1-benzyl-3-ethyl-2-methylpyrrole is CCc1ccn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-3-ethyl-2-methylpyrrole?
The InChIKey is WBNYLSMPKQJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-14-9-10-15(12(14)2)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-benzyl-3-ethyl-2-methylpyrrole?
1-benzyl-3-ethyl-2-methylpyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-2-methylpyrrole is sourced from PubChem (CID 135021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).