2-tert-butyl-1-methyl-5-methylidenepyrrolidine

C10H19N — CID 58562533

IUPAC2-tert-butyl-1-methyl-5-methylidenepyrrolidine
SMILESC=C1CCC(C(C)(C)C)N1C
InChIInChI=1S/C10H19N/c1-8-6-7-9(11(8)5)10(2,3)4/h9H,1,6-7H2,2-5H3
InChIKeyNKPFQXWWXZTIRG-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds

About 2-tert-butyl-1-methyl-5-methylidenepyrrolidine

2-tert-butyl-1-methyl-5-methylidenepyrrolidine (PubChem CID 58562533) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-5-methylidenepyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-5-methylidenepyrrolidine
PubChem CID58562533
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-tert-butyl-1-methyl-5-methylidenepyrrolidine
SMILESC=C1CCC(C(C)(C)C)N1C
InChIInChI=1S/C10H19N/c1-8-6-7-9(11(8)5)10(2,3)4/h9H,1,6-7H2,2-5H3
InChIKeyNKPFQXWWXZTIRG-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-5-methylidenepyrrolidine?
The IUPAC name of 2-tert-butyl-1-methyl-5-methylidenepyrrolidine (CID 58562533) is 2-tert-butyl-1-methyl-5-methylidenepyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-methyl-5-methylidenepyrrolidine?
The canonical SMILES for 2-tert-butyl-1-methyl-5-methylidenepyrrolidine is C=C1CCC(C(C)(C)C)N1C.
What is the InChIKey of 2-tert-butyl-1-methyl-5-methylidenepyrrolidine?
The InChIKey is NKPFQXWWXZTIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-7-9(11(8)5)10(2,3)4/h9H,1,6-7H2,2-5H3.
What are the key properties of 2-tert-butyl-1-methyl-5-methylidenepyrrolidine?
2-tert-butyl-1-methyl-5-methylidenepyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-5-methylidenepyrrolidine is sourced from PubChem (CID 58562533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).