1,3-ditert-butyl-2-methylidenepyrrolidine

C13H25N — CID 59096683

IUPAC1,3-ditert-butyl-2-methylidenepyrrolidine
SMILESC=C1C(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C13H25N/c1-10-11(12(2,3)4)8-9-14(10)13(5,6)7/h11H,1,8-9H2,2-7H3
InChIKeyHRNKQPIRGUCUIP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds

About 1,3-ditert-butyl-2-methylidenepyrrolidine

1,3-ditert-butyl-2-methylidenepyrrolidine (PubChem CID 59096683) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1,3-ditert-butyl-2-methylidenepyrrolidine
PubChem CID59096683
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,3-ditert-butyl-2-methylidenepyrrolidine
SMILESC=C1C(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C13H25N/c1-10-11(12(2,3)4)8-9-14(10)13(5,6)7/h11H,1,8-9H2,2-7H3
InChIKeyHRNKQPIRGUCUIP-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-methylidenepyrrolidine?
The IUPAC name of 1,3-ditert-butyl-2-methylidenepyrrolidine (CID 59096683) is 1,3-ditert-butyl-2-methylidenepyrrolidine.
What is the SMILES notation for 1,3-ditert-butyl-2-methylidenepyrrolidine?
The canonical SMILES for 1,3-ditert-butyl-2-methylidenepyrrolidine is C=C1C(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2-methylidenepyrrolidine?
The InChIKey is HRNKQPIRGUCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10-11(12(2,3)4)8-9-14(10)13(5,6)7/h11H,1,8-9H2,2-7H3.
What are the key properties of 1,3-ditert-butyl-2-methylidenepyrrolidine?
1,3-ditert-butyl-2-methylidenepyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-methylidenepyrrolidine is sourced from PubChem (CID 59096683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).