1-tert-butyl-3-methyl-4-methylidenepyrrolidine

C10H19N — CID 11412486

IUPAC1-tert-butyl-3-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(C(C)(C)C)CC1C
InChIInChI=1S/C10H19N/c1-8-6-11(7-9(8)2)10(3,4)5/h9H,1,6-7H2,2-5H3
InChIKeyYOWQXAFWWYAUOR-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds

About 1-tert-butyl-3-methyl-4-methylidenepyrrolidine

1-tert-butyl-3-methyl-4-methylidenepyrrolidine (PubChem CID 11412486) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-4-methylidenepyrrolidine
PubChem CID11412486
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-tert-butyl-3-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(C(C)(C)C)CC1C
InChIInChI=1S/C10H19N/c1-8-6-11(7-9(8)2)10(3,4)5/h9H,1,6-7H2,2-5H3
InChIKeyYOWQXAFWWYAUOR-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-3-methyl-4-methylidenepyrrolidine?
The IUPAC name of 1-tert-butyl-3-methyl-4-methylidenepyrrolidine (CID 11412486) is 1-tert-butyl-3-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-methyl-4-methylidenepyrrolidine?
The canonical SMILES for 1-tert-butyl-3-methyl-4-methylidenepyrrolidine is C=C1CN(C(C)(C)C)CC1C.
What is the InChIKey of 1-tert-butyl-3-methyl-4-methylidenepyrrolidine?
The InChIKey is YOWQXAFWWYAUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-11(7-9(8)2)10(3,4)5/h9H,1,6-7H2,2-5H3.
What are the key properties of 1-tert-butyl-3-methyl-4-methylidenepyrrolidine?
1-tert-butyl-3-methyl-4-methylidenepyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 11412486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).