1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one

C13H24N2O2 — CID 113448456

IUPAC1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)C1CCOC1
InChIInChI=1S/C13H24N2O2/c1-3-14-12(11-4-5-17-9-11)8-15-7-10(2)6-13(15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyIBXNPRUVHSCHJC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one

1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 113448456) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
PubChem CID113448456
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)C1CCOC1
InChIInChI=1S/C13H24N2O2/c1-3-14-12(11-4-5-17-9-11)8-15-7-10(2)6-13(15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyIBXNPRUVHSCHJC-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104748173
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
CID 104747590
1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63913764
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747837
2-(2,5-dimethylmorpholin-4-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104744800
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 104747148
4-methyl-1-[2-(methylamino)pentyl]pyrrolidin-2-one
CID 63104073
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]quinolin-2-one
CID 104747727
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one (CID 113448456) is 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one is CCNC(CN1CC(C)CC1=O)C1CCOC1.
What is the InChIKey of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is IBXNPRUVHSCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-14-12(11-4-5-17-9-11)8-15-7-10(2)6-13(15)16/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one?
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 113448456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).