1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one

C9H18N2O — CID 142616073

IUPAC1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one
SMILESCCN1CCC(N(C)CC)C1=O
InChIInChI=1S/C9H18N2O/c1-4-10(3)8-6-7-11(5-2)9(8)12/h8H,4-7H2,1-3H3
InChIKeyKIVZNYFSBQJIHS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds3

About 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one

1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one (PubChem CID 142616073) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one
PubChem CID142616073
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one
SMILESCCN1CCC(N(C)CC)C1=O
InChIInChI=1S/C9H18N2O/c1-4-10(3)8-6-7-11(5-2)9(8)12/h8H,4-7H2,1-3H3
InChIKeyKIVZNYFSBQJIHS-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one (CID 142616073) is 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one is CCN1CCC(N(C)CC)C1=O.
What is the InChIKey of 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one?
The InChIKey is KIVZNYFSBQJIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-10(3)8-6-7-11(5-2)9(8)12/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one?
1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 142616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).