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

C10H20N2O — CID 54453681

IUPAC(3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
SMILESCCNC(C)[C@@H]1CC(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-/m0/s1
InChIKeyWWRRANCIRWYAEI-HACHORDNSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

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

(3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one (PubChem CID 54453681) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
PubChem CID54453681
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
SMILESCCNC(C)[C@@H]1CC(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-/m0/s1
InChIKeyWWRRANCIRWYAEI-HACHORDNSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one (CID 54453681) is (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one is CCNC(C)[C@@H]1CC(C)N(C)C1=O.
What is the InChIKey of (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
The InChIKey is WWRRANCIRWYAEI-HACHORDNSA-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-/m0/s1.
What are the key properties of (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one?
(3S)-3-[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 (3S)-3-[1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 54453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).