1-(3,3-dimethylbutanoyl)pyrrolidin-2-one

C10H17NO2 — CID 58394451

IUPAC1-(3,3-dimethylbutanoyl)pyrrolidin-2-one
SMILESCC(C)(C)CC(=O)N1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-9(13)11-6-4-5-8(11)12/h4-7H2,1-3H3
InChIKeyAMZVFYPOAZDALL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds1

About 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one

1-(3,3-dimethylbutanoyl)pyrrolidin-2-one (PubChem CID 58394451) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)pyrrolidin-2-one
PubChem CID58394451
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,3-dimethylbutanoyl)pyrrolidin-2-one
SMILESCC(C)(C)CC(=O)N1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-9(13)11-6-4-5-8(11)12/h4-7H2,1-3H3
InChIKeyAMZVFYPOAZDALL-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one (CID 58394451) is 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one is CC(C)(C)CC(=O)N1CCCC1=O.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one?
The InChIKey is AMZVFYPOAZDALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)7-9(13)11-6-4-5-8(11)12/h4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one?
1-(3,3-dimethylbutanoyl)pyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)pyrrolidin-2-one is sourced from PubChem (CID 58394451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).