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

C11H23NO2 — CID 156638793

IUPACethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC.CC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3
InChIKeyAIMMRLWVQVPBAI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds3

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

ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 156638793) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID156638793
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC.CC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3
InChIKeyAIMMRLWVQVPBAI-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (CID 156638793) is ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is CC.CC1(C)CC(CCCO)C(=O)N1.
What is the InChIKey of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is AIMMRLWVQVPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3.
What are the key properties of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 156638793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).