1-tert-butyl-2-methylidenepyrrolidine

C9H17N — CID 58842308

IUPAC1-tert-butyl-2-methylidenepyrrolidine
SMILESC=C1CCCN1C(C)(C)C
InChIInChI=1S/C9H17N/c1-8-6-5-7-10(8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyAVQIMPYTKNITIZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds

About 1-tert-butyl-2-methylidenepyrrolidine

1-tert-butyl-2-methylidenepyrrolidine (PubChem CID 58842308) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-tert-butyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-methylidenepyrrolidine
PubChem CID58842308
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-tert-butyl-2-methylidenepyrrolidine
SMILESC=C1CCCN1C(C)(C)C
InChIInChI=1S/C9H17N/c1-8-6-5-7-10(8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyAVQIMPYTKNITIZ-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylidenepyrrolidine?
The IUPAC name of 1-tert-butyl-2-methylidenepyrrolidine (CID 58842308) is 1-tert-butyl-2-methylidenepyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-methylidenepyrrolidine?
The canonical SMILES for 1-tert-butyl-2-methylidenepyrrolidine is C=C1CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylidenepyrrolidine?
The InChIKey is AVQIMPYTKNITIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-6-5-7-10(8)9(2,3)4/h1,5-7H2,2-4H3.
What are the key properties of 1-tert-butyl-2-methylidenepyrrolidine?
1-tert-butyl-2-methylidenepyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 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-methylidenepyrrolidine is sourced from PubChem (CID 58842308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).