3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one

C12H24N2O — CID 62119682

IUPAC3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
SMILESCCCC(CC)N1CCC(NCC)C1=O
InChIInChI=1S/C12H24N2O/c1-4-7-10(5-2)14-9-8-11(12(14)15)13-6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyQSRWCPVTNLIYRA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds6

About 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one

3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one (PubChem CID 62119682) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
PubChem CID62119682
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
SMILESCCCC(CC)N1CCC(NCC)C1=O
InChIInChI=1S/C12H24N2O/c1-4-7-10(5-2)14-9-8-11(12(14)15)13-6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyQSRWCPVTNLIYRA-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one (CID 62119682) is 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one is CCCC(CC)N1CCC(NCC)C1=O.
What is the InChIKey of 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one?
The InChIKey is QSRWCPVTNLIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-10(5-2)14-9-8-11(12(14)15)13-6-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one?
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 62119682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).