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

Analyze 5-tert-butyl-2,3-dimethylidene-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4,6-Tetramethyl-1,2-dihydropyridine
CID 244970
(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
CID 167213690
Dimethyl aminofulvene
CID 129695581
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole
CID 143736416
(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole
CID 145145162
(2Z)-2-(1-fluoroethylidene)-5-methyl-3-methylidene-1H-pyrrole
CID 145145186
(2Z)-2-(1-fluoroprop-2-enylidene)-5-methyl-3-propan-2-ylidene-1H-pyrrole
CID 145145210
(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole
CID 145145248
(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole
CID 145145369
(2Z)-2-(fluoromethylidene)-5-methyl-3-methylidene-1H-pyrrole
CID 145145420
4,6-Dimethyl-2-methylene-1,2-dihydropyridine
CID 12931743
2,6-Dimethyl-4-methylene-1,4-dihydropyridine
CID 12931746

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).