1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one

C12H24N2O — CID 104511458

IUPAC1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(C)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C12H24N2O/c1-5-13-10(4)7-14-8-11(9(2)3)6-12(14)15/h9-11,13H,5-8H2,1-4H3
InChIKeyVWWPANYSKCLYDQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511458) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511458
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(C)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C12H24N2O/c1-5-13-10(4)7-14-8-11(9(2)3)6-12(14)15/h9-11,13H,5-8H2,1-4H3
InChIKeyVWWPANYSKCLYDQ-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511458) is 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one is CCNC(C)CN1CC(C(C)C)CC1=O.
What is the InChIKey of 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is VWWPANYSKCLYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-13-10(4)7-14-8-11(9(2)3)6-12(14)15/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).