2,5-dimethylidene-3-propan-2-ylpyrrolidine

C9H15N — CID 20745836

IUPAC2,5-dimethylidene-3-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)C(=C)N1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)10-8(9)4/h6,9-10H,3-5H2,1-2H3
InChIKeyGEAULOSIYMKSMZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.28
Rot. Bonds1

About 2,5-dimethylidene-3-propan-2-ylpyrrolidine

2,5-dimethylidene-3-propan-2-ylpyrrolidine (PubChem CID 20745836) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,5-dimethylidene-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2,5-dimethylidene-3-propan-2-ylpyrrolidine
PubChem CID20745836
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,5-dimethylidene-3-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)C(=C)N1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)10-8(9)4/h6,9-10H,3-5H2,1-2H3
InChIKeyGEAULOSIYMKSMZ-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-3-propan-2-ylpyrrolidine?
The IUPAC name of 2,5-dimethylidene-3-propan-2-ylpyrrolidine (CID 20745836) is 2,5-dimethylidene-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 2,5-dimethylidene-3-propan-2-ylpyrrolidine?
The canonical SMILES for 2,5-dimethylidene-3-propan-2-ylpyrrolidine is C=C1CC(C(C)C)C(=C)N1.
What is the InChIKey of 2,5-dimethylidene-3-propan-2-ylpyrrolidine?
The InChIKey is GEAULOSIYMKSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)9-5-7(3)10-8(9)4/h6,9-10H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethylidene-3-propan-2-ylpyrrolidine?
2,5-dimethylidene-3-propan-2-ylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 20745836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).