4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one

C11H21NO — CID 157112916

IUPAC4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one
SMILESCC(C)CC1CN(C(C)C)CC1=O
InChIInChI=1S/C11H21NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-10H,5-7H2,1-4H3
InChIKeyKZDXTCCEIXHDHG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

About 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one

4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one (PubChem CID 157112916) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one
PubChem CID157112916
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one
SMILESCC(C)CC1CN(C(C)C)CC1=O
InChIInChI=1S/C11H21NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-10H,5-7H2,1-4H3
InChIKeyKZDXTCCEIXHDHG-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one?
The IUPAC name of 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one (CID 157112916) is 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one.
What is the SMILES notation for 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one?
The canonical SMILES for 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one is CC(C)CC1CN(C(C)C)CC1=O.
What is the InChIKey of 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one?
The InChIKey is KZDXTCCEIXHDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)5-10-6-12(9(3)4)7-11(10)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one?
4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-one is sourced from PubChem (CID 157112916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).