5-tert-butyl-2,3-dimethylidene-1H-pyrrole

C10H15N — CID 139474096

IUPAC5-tert-butyl-2,3-dimethylidene-1H-pyrrole
SMILESC=c1cc(C(C)(C)C)[nH]c1=C
InChIInChI=1S/C10H15N/c1-7-6-9(10(3,4)5)11-8(7)2/h6,11H,1-2H2,3-5H3
InChIKeyRYAGHELNGYBXSE-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.13
Rot. Bonds

About 5-tert-butyl-2,3-dimethylidene-1H-pyrrole

5-tert-butyl-2,3-dimethylidene-1H-pyrrole (PubChem CID 139474096) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethylidene-1H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethylidene-1H-pyrrole
PubChem CID139474096
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-tert-butyl-2,3-dimethylidene-1H-pyrrole
SMILESC=c1cc(C(C)(C)C)[nH]c1=C
InChIInChI=1S/C10H15N/c1-7-6-9(10(3,4)5)11-8(7)2/h6,11H,1-2H2,3-5H3
InChIKeyRYAGHELNGYBXSE-UHFFFAOYSA-N
XLogP1.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethylidene-1H-pyrrole?
The IUPAC name of 5-tert-butyl-2,3-dimethylidene-1H-pyrrole (CID 139474096) is 5-tert-butyl-2,3-dimethylidene-1H-pyrrole.
What is the SMILES notation for 5-tert-butyl-2,3-dimethylidene-1H-pyrrole?
The canonical SMILES for 5-tert-butyl-2,3-dimethylidene-1H-pyrrole is C=c1cc(C(C)(C)C)[nH]c1=C.
What is the InChIKey of 5-tert-butyl-2,3-dimethylidene-1H-pyrrole?
The InChIKey is RYAGHELNGYBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-6-9(10(3,4)5)11-8(7)2/h6,11H,1-2H2,3-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethylidene-1H-pyrrole?
5-tert-butyl-2,3-dimethylidene-1H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethylidene-1H-pyrrole is sourced from PubChem (CID 139474096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).