5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole

C10H17N — CID 129288136

IUPAC5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C(C)(C)C)C1C
InChIInChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3
InChIKeyHHGIDGQQBZLUCR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds

About 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole

5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole (PubChem CID 129288136) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
PubChem CID129288136
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C(C)(C)C)C1C
InChIInChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3
InChIKeyHHGIDGQQBZLUCR-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The IUPAC name of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole (CID 129288136) is 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole.
What is the SMILES notation for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The canonical SMILES for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole is C=C1CN=C(C(C)(C)C)C1C.
What is the InChIKey of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The InChIKey is HHGIDGQQBZLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3.
What are the key properties of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole is sourced from PubChem (CID 129288136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).