3-methylidene-2-propan-2-ylpyrrolidine

C8H15N — CID 90974149

IUPAC3-methylidene-2-propan-2-ylpyrrolidine
SMILESC=C1CCNC1C(C)C
InChIInChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6,8-9H,3-5H2,1-2H3
InChIKeyOPSJGIOZRYUCPN-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.56
Rot. Bonds1

About 3-methylidene-2-propan-2-ylpyrrolidine

3-methylidene-2-propan-2-ylpyrrolidine (PubChem CID 90974149) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-methylidene-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methylidene-2-propan-2-ylpyrrolidine
PubChem CID90974149
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-methylidene-2-propan-2-ylpyrrolidine
SMILESC=C1CCNC1C(C)C
InChIInChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6,8-9H,3-5H2,1-2H3
InChIKeyOPSJGIOZRYUCPN-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
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 3-methylidene-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-methylidene-2-propan-2-ylpyrrolidine (CID 90974149) is 3-methylidene-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-methylidene-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-methylidene-2-propan-2-ylpyrrolidine is C=C1CCNC1C(C)C.
What is the InChIKey of 3-methylidene-2-propan-2-ylpyrrolidine?
The InChIKey is OPSJGIOZRYUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-2-propan-2-ylpyrrolidine?
3-methylidene-2-propan-2-ylpyrrolidine has a molecular weight of 125.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 90974149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).