2-methylidene-4-propan-2-ylpyrrolidine

C8H15N — CID 90251275

IUPAC2-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)CN1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyJFRGGXQAXGAEHT-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.77
Rot. Bonds1

About 2-methylidene-4-propan-2-ylpyrrolidine

2-methylidene-4-propan-2-ylpyrrolidine (PubChem CID 90251275) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-methylidene-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methylidene-4-propan-2-ylpyrrolidine
PubChem CID90251275
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)CN1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyJFRGGXQAXGAEHT-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-propan-2-ylpyrrolidine?
The IUPAC name of 2-methylidene-4-propan-2-ylpyrrolidine (CID 90251275) is 2-methylidene-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methylidene-4-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methylidene-4-propan-2-ylpyrrolidine is C=C1CC(C(C)C)CN1.
What is the InChIKey of 2-methylidene-4-propan-2-ylpyrrolidine?
The InChIKey is JFRGGXQAXGAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-4-propan-2-ylpyrrolidine?
2-methylidene-4-propan-2-ylpyrrolidine has a molecular weight of 125.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 90251275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).