3-tert-butyl-2-methylidenepyrrolidine

C9H17N — CID 59765883

IUPAC3-tert-butyl-2-methylidenepyrrolidine
SMILESC=C1NCCC1C(C)(C)C
InChIInChI=1S/C9H17N/c1-7-8(5-6-10-7)9(2,3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyFALCRLYFIIZDRC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.16
Rot. Bonds

About 3-tert-butyl-2-methylidenepyrrolidine

3-tert-butyl-2-methylidenepyrrolidine (PubChem CID 59765883) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-tert-butyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-2-methylidenepyrrolidine
PubChem CID59765883
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-tert-butyl-2-methylidenepyrrolidine
SMILESC=C1NCCC1C(C)(C)C
InChIInChI=1S/C9H17N/c1-7-8(5-6-10-7)9(2,3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyFALCRLYFIIZDRC-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylidenepyrrolidine?
The IUPAC name of 3-tert-butyl-2-methylidenepyrrolidine (CID 59765883) is 3-tert-butyl-2-methylidenepyrrolidine.
What is the SMILES notation for 3-tert-butyl-2-methylidenepyrrolidine?
The canonical SMILES for 3-tert-butyl-2-methylidenepyrrolidine is C=C1NCCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylidenepyrrolidine?
The InChIKey is FALCRLYFIIZDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-8(5-6-10-7)9(2,3)4/h8,10H,1,5-6H2,2-4H3.
What are the key properties of 3-tert-butyl-2-methylidenepyrrolidine?
3-tert-butyl-2-methylidenepyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylidenepyrrolidine is sourced from PubChem (CID 59765883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).