2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole

C11H17N — CID 134890969

IUPAC2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
SMILESC/C=C/CC1(C)C=CC(CC)=N1
InChIInChI=1S/C11H17N/c1-4-6-8-11(3)9-7-10(5-2)12-11/h4,6-7,9H,5,8H2,1-3H3/b6-4+
InChIKeyJVQDCYZUJPCUTI-GQCTYLIASA-N
MW163.26 g/mol
LogP3.13
Rot. Bonds3

About 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole

2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole (PubChem CID 134890969) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
PubChem CID134890969
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
SMILESC/C=C/CC1(C)C=CC(CC)=N1
InChIInChI=1S/C11H17N/c1-4-6-8-11(3)9-7-10(5-2)12-11/h4,6-7,9H,5,8H2,1-3H3/b6-4+
InChIKeyJVQDCYZUJPCUTI-GQCTYLIASA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethyl 2h indol
CID 101318478
2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
2-Ethyl-2,3,5-trimethylpyrrole
CID 14638048
5-propan-2-yl-2H-pyrrole
CID 18736790
2,5-ditert-butyl-2H-pyrrole
CID 22374998
2-Ethyl-2,5-dimethylpyrrole
CID 53979597
5-tert-butyl-2H-pyrrole
CID 57674557
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
CID 59049750
2,2,4,5-Tetramethylpyrrole
CID 74888682
penta-1,3-diene;ruthenium(2+);2,2,4,5-tetramethyl-3H-pyrrol-3-ide
CID 87322672
Carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;iron(3+)
CID 87610367
Carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)
CID 87610755

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole?
The IUPAC name of 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole (CID 134890969) is 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole.
What is the SMILES notation for 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole?
The canonical SMILES for 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole is C/C=C/CC1(C)C=CC(CC)=N1.
What is the InChIKey of 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole?
The InChIKey is JVQDCYZUJPCUTI-GQCTYLIASA-N. The full InChI is InChI=1S/C11H17N/c1-4-6-8-11(3)9-7-10(5-2)12-11/h4,6-7,9H,5,8H2,1-3H3/b6-4+.
What are the key properties of 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole?
2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole is sourced from PubChem (CID 134890969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).