2-but-2-enyl-2-ethylpyrrole

C10H15N — CID 57004955

IUPAC2-but-2-enyl-2-ethylpyrrole
SMILESCC=CCC1(CC)C=CC=N1
InChIInChI=1S/C10H15N/c1-3-5-7-10(4-2)8-6-9-11-10/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyNXMYVPYALUNDJF-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds3

About 2-but-2-enyl-2-ethylpyrrole

2-but-2-enyl-2-ethylpyrrole (PubChem CID 57004955) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-but-2-enyl-2-ethylpyrrole.

Molecular Properties

Compound Name2-but-2-enyl-2-ethylpyrrole
PubChem CID57004955
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-but-2-enyl-2-ethylpyrrole
SMILESCC=CCC1(CC)C=CC=N1
InChIInChI=1S/C10H15N/c1-3-5-7-10(4-2)8-6-9-11-10/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyNXMYVPYALUNDJF-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
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

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CID 91431547
2-But-2-ynyl-2-methylpyrrole
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2-Methyl-2-propylpyrrole
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2-But-2-ynyl-2-ethylpyrrole
CID 57292671
2,2-Dimethylpyrrole
CID 57914006
5,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 58270246
2-tert-butyl-2H-pyrrole
CID 59486379
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
2-(2-Ethylbutylidene)pyrrole
CID 67602316
2-(2-Prop-2-enylpyrrol-2-yl)acetonitrile
CID 70598598
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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-2-ethylpyrrole?
The IUPAC name of 2-but-2-enyl-2-ethylpyrrole (CID 57004955) is 2-but-2-enyl-2-ethylpyrrole.
What is the SMILES notation for 2-but-2-enyl-2-ethylpyrrole?
The canonical SMILES for 2-but-2-enyl-2-ethylpyrrole is CC=CCC1(CC)C=CC=N1.
What is the InChIKey of 2-but-2-enyl-2-ethylpyrrole?
The InChIKey is NXMYVPYALUNDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-7-10(4-2)8-6-9-11-10/h3,5-6,8-9H,4,7H2,1-2H3.
What are the key properties of 2-but-2-enyl-2-ethylpyrrole?
2-but-2-enyl-2-ethylpyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-2-ethylpyrrole is sourced from PubChem (CID 57004955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).