3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one

C13H26N2O2 — CID 106357935

IUPAC3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C(CCO)C(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-5-14-10-6-8-15(12(10)17)11(7-9-16)13(2,3)4/h10-11,14,16H,5-9H2,1-4H3
InChIKeyHBABFQDBKUFKMU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one

3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one (PubChem CID 106357935) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
PubChem CID106357935
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C(CCO)C(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-5-14-10-6-8-15(12(10)17)11(7-9-16)13(2,3)4/h10-11,14,16H,5-9H2,1-4H3
InChIKeyHBABFQDBKUFKMU-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
CID 106357937
3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
CID 115366236
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
CID 54973377
1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
CID 106187223
3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 114617326
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 65112678
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one (CID 106357935) is 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one is CCNC1CCN(C(CCO)C(C)(C)C)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one?
The InChIKey is HBABFQDBKUFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-10-6-8-15(12(10)17)11(7-9-16)13(2,3)4/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one?
3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 106357935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).