1-(2-methylpropyl)pyrrolidin-3-one

C8H15NO — CID 43314831

IUPAC1-(2-methylpropyl)pyrrolidin-3-one
SMILESCC(C)CN1CCC(=O)C1
InChIInChI=1S/C8H15NO/c1-7(2)5-9-4-3-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQDLDAKALCFTRDO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-methylpropyl)pyrrolidin-3-one

1-(2-methylpropyl)pyrrolidin-3-one (PubChem CID 43314831) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-methylpropyl)pyrrolidin-3-one
PubChem CID43314831
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2-methylpropyl)pyrrolidin-3-one
SMILESCC(C)CN1CCC(=O)C1
InChIInChI=1S/C8H15NO/c1-7(2)5-9-4-3-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQDLDAKALCFTRDO-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)pyrrolidin-3-one?
The IUPAC name of 1-(2-methylpropyl)pyrrolidin-3-one (CID 43314831) is 1-(2-methylpropyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2-methylpropyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2-methylpropyl)pyrrolidin-3-one is CC(C)CN1CCC(=O)C1.
What is the InChIKey of 1-(2-methylpropyl)pyrrolidin-3-one?
The InChIKey is QDLDAKALCFTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-9-4-3-8(10)6-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)pyrrolidin-3-one?
1-(2-methylpropyl)pyrrolidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)pyrrolidin-3-one is sourced from PubChem (CID 43314831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).