4,5-diethyl-3-methylpyrrol-2-one

C9H13NO — CID 90298364

IUPAC4,5-diethyl-3-methylpyrrol-2-one
SMILESCCC1=NC(=O)C(C)=C1CC
InChIInChI=1S/C9H13NO/c1-4-7-6(3)9(11)10-8(7)5-2/h4-5H2,1-3H3
InChIKeyDWEWNPRYYOFSTJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.10
Rot. Bonds2

About 4,5-diethyl-3-methylpyrrol-2-one

4,5-diethyl-3-methylpyrrol-2-one (PubChem CID 90298364) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,5-diethyl-3-methylpyrrol-2-one.

Molecular Properties

Compound Name4,5-diethyl-3-methylpyrrol-2-one
PubChem CID90298364
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4,5-diethyl-3-methylpyrrol-2-one
SMILESCCC1=NC(=O)C(C)=C1CC
InChIInChI=1S/C9H13NO/c1-4-7-6(3)9(11)10-8(7)5-2/h4-5H2,1-3H3
InChIKeyDWEWNPRYYOFSTJ-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-methylpyrrol-2-one?
The IUPAC name of 4,5-diethyl-3-methylpyrrol-2-one (CID 90298364) is 4,5-diethyl-3-methylpyrrol-2-one.
What is the SMILES notation for 4,5-diethyl-3-methylpyrrol-2-one?
The canonical SMILES for 4,5-diethyl-3-methylpyrrol-2-one is CCC1=NC(=O)C(C)=C1CC.
What is the InChIKey of 4,5-diethyl-3-methylpyrrol-2-one?
The InChIKey is DWEWNPRYYOFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7-6(3)9(11)10-8(7)5-2/h4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-3-methylpyrrol-2-one?
4,5-diethyl-3-methylpyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-methylpyrrol-2-one is sourced from PubChem (CID 90298364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).