3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one

C9H17NO2 — CID 139389526

IUPAC3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2/c1-9(2)6-7(4-3-5-11)8(12)10-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyZXXMWYSGWPMYCL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds3

About 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one

3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 139389526) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID139389526
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2/c1-9(2)6-7(4-3-5-11)8(12)10-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyZXXMWYSGWPMYCL-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (CID 139389526) is 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is CC1(C)CC(CCCO)C(=O)N1.
What is the InChIKey of 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is ZXXMWYSGWPMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)6-7(4-3-5-11)8(12)10-9/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 139389526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).