1-ethyl-4-methylpyrrolidin-2-one

C7H13NO — CID 10796755

IUPAC1-ethyl-4-methylpyrrolidin-2-one
SMILESCCN1CC(C)CC1=O
InChIInChI=1S/C7H13NO/c1-3-8-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3
InChIKeyWPYOVDDPFSTFOV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds1

About 1-ethyl-4-methylpyrrolidin-2-one

1-ethyl-4-methylpyrrolidin-2-one (PubChem CID 10796755) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-ethyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methylpyrrolidin-2-one
PubChem CID10796755
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-ethyl-4-methylpyrrolidin-2-one
SMILESCCN1CC(C)CC1=O
InChIInChI=1S/C7H13NO/c1-3-8-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3
InChIKeyWPYOVDDPFSTFOV-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-methylpyrrolidin-2-one (CID 10796755) is 1-ethyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-methylpyrrolidin-2-one is CCN1CC(C)CC1=O.
What is the InChIKey of 1-ethyl-4-methylpyrrolidin-2-one?
The InChIKey is WPYOVDDPFSTFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-4-methylpyrrolidin-2-one?
1-ethyl-4-methylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 10796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).