5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one

C10H18N2O — CID 134923795

IUPAC5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one
SMILESCCN(CC)C1=C(C)C(=O)C(C)N1
InChIInChI=1S/C10H18N2O/c1-5-12(6-2)10-7(3)9(13)8(4)11-10/h8,11H,5-6H2,1-4H3
InChIKeyQPATZBJSVNBEDT-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds3

About 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one

5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one (PubChem CID 134923795) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one
PubChem CID134923795
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one
SMILESCCN(CC)C1=C(C)C(=O)C(C)N1
InChIInChI=1S/C10H18N2O/c1-5-12(6-2)10-7(3)9(13)8(4)11-10/h8,11H,5-6H2,1-4H3
InChIKeyQPATZBJSVNBEDT-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4R)-3,3,4-trimethylazetidin-2-one
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5-ethyl-2,3-dimethylcyclopent-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one?
The IUPAC name of 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one (CID 134923795) is 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one?
The canonical SMILES for 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one is CCN(CC)C1=C(C)C(=O)C(C)N1.
What is the InChIKey of 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one?
The InChIKey is QPATZBJSVNBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-12(6-2)10-7(3)9(13)8(4)11-10/h8,11H,5-6H2,1-4H3.
What are the key properties of 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one?
5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2,4-dimethyl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 134923795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).