3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one

C10H20N2O — CID 54453682

IUPAC3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
SMILESCCN[C@H](C)C1CC(C)N(C)C1=O
InChIInChI=1S/C10H20N2O/c1-5-11-8(3)9-6-7(2)12(4)10(9)13/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m1/s1
InChIKeyWWRRANCIRWYAEI-QJAFJHJLSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

About 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one

3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one (PubChem CID 54453682) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
PubChem CID54453682
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
SMILESCCN[C@H](C)C1CC(C)N(C)C1=O
InChIInChI=1S/C10H20N2O/c1-5-11-8(3)9-6-7(2)12(4)10(9)13/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m1/s1
InChIKeyWWRRANCIRWYAEI-QJAFJHJLSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
CID 54376263
3-fluoro-1,5-dimethylpyrrolidin-2-one
CID 118331524
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
5-ethyl-2-[2-(ethylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513427
3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59280236
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513050
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
CID 106721500
3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 172538095
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537771
ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
CID 178164464

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one (CID 54453682) is 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one is CCN[C@H](C)C1CC(C)N(C)C1=O.
What is the InChIKey of 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The InChIKey is WWRRANCIRWYAEI-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-11-8(3)9-6-7(2)12(4)10(9)13/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m1/s1.
What are the key properties of 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 54453682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).