1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole

C10H19N — CID 59603290

IUPAC1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole
SMILESCC1C=CC(C)N1C(C)(C)C
InChIInChI=1S/C10H19N/c1-8-6-7-9(2)11(8)10(3,4)5/h6-9H,1-5H3
InChIKeyNPNHMXSWTGJRNQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.43
Rot. Bonds

About 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole

1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole (PubChem CID 59603290) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole
PubChem CID59603290
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole
SMILESCC1C=CC(C)N1C(C)(C)C
InChIInChI=1S/C10H19N/c1-8-6-7-9(2)11(8)10(3,4)5/h6-9H,1-5H3
InChIKeyNPNHMXSWTGJRNQ-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.43
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 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole (CID 59603290) is 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole is CC1C=CC(C)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole?
The InChIKey is NPNHMXSWTGJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-7-9(2)11(8)10(3,4)5/h6-9H,1-5H3.
What are the key properties of 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole?
1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 59603290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).