2-(2-ethylbutylidene)pyrrole

C10H15N — CID 67602316

IUPAC2-(2-ethylbutylidene)pyrrole
SMILESCCC(C=C1C=CC=N1)CC
InChIInChI=1S/C10H15N/c1-3-9(4-2)8-10-6-5-7-11-10/h5-9H,3-4H2,1-2H3
InChIKeyVKEJRLGYKSLDDO-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-ethylbutylidene)pyrrole

2-(2-ethylbutylidene)pyrrole (PubChem CID 67602316) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-(2-ethylbutylidene)pyrrole.

Molecular Properties

Compound Name2-(2-ethylbutylidene)pyrrole
PubChem CID67602316
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-(2-ethylbutylidene)pyrrole
SMILESCCC(C=C1C=CC=N1)CC
InChIInChI=1S/C10H15N/c1-3-9(4-2)8-10-6-5-7-11-10/h5-9H,3-4H2,1-2H3
InChIKeyVKEJRLGYKSLDDO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylidene)pyrrole?
The IUPAC name of 2-(2-ethylbutylidene)pyrrole (CID 67602316) is 2-(2-ethylbutylidene)pyrrole.
What is the SMILES notation for 2-(2-ethylbutylidene)pyrrole?
The canonical SMILES for 2-(2-ethylbutylidene)pyrrole is CCC(C=C1C=CC=N1)CC.
What is the InChIKey of 2-(2-ethylbutylidene)pyrrole?
The InChIKey is VKEJRLGYKSLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9(4-2)8-10-6-5-7-11-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(2-ethylbutylidene)pyrrole?
2-(2-ethylbutylidene)pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylidene)pyrrole is sourced from PubChem (CID 67602316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).