3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one

C11H22N2O2 — CID 115366236

IUPAC3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
SMILESCCNC1CCN(CC(C)(C)CO)C1=O
InChIInChI=1S/C11H22N2O2/c1-4-12-9-5-6-13(10(9)15)7-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyUXMSTWJWKVRSMC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds5

About 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one

3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one (PubChem CID 115366236) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
PubChem CID115366236
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
SMILESCCNC1CCN(CC(C)(C)CO)C1=O
InChIInChI=1S/C11H22N2O2/c1-4-12-9-5-6-13(10(9)15)7-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3
InChIKeyUXMSTWJWKVRSMC-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 65112678
3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 114617326
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
CID 106357935
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
CID 82943080
3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 114173849
3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 65119516
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
3-(ethylamino)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 62054329

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one (CID 115366236) is 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one is CCNC1CCN(CC(C)(C)CO)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one?
The InChIKey is UXMSTWJWKVRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-9-5-6-13(10(9)15)7-11(2,3)8-14/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one?
3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 115366236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).