4-ethyl-1-methylpyrrolidin-3-one

C7H13NO — CID 20697377

IUPAC4-ethyl-1-methylpyrrolidin-3-one
SMILESCCC1CN(C)CC1=O
InChIInChI=1S/C7H13NO/c1-3-6-4-8(2)5-7(6)9/h6H,3-5H2,1-2H3
InChIKeyBCRVNTVDWJVKEY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds1

About 4-ethyl-1-methylpyrrolidin-3-one

4-ethyl-1-methylpyrrolidin-3-one (PubChem CID 20697377) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name4-ethyl-1-methylpyrrolidin-3-one
PubChem CID20697377
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-ethyl-1-methylpyrrolidin-3-one
SMILESCCC1CN(C)CC1=O
InChIInChI=1S/C7H13NO/c1-3-6-4-8(2)5-7(6)9/h6H,3-5H2,1-2H3
InChIKeyBCRVNTVDWJVKEY-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpyrrolidin-3-one?
The IUPAC name of 4-ethyl-1-methylpyrrolidin-3-one (CID 20697377) is 4-ethyl-1-methylpyrrolidin-3-one.
What is the SMILES notation for 4-ethyl-1-methylpyrrolidin-3-one?
The canonical SMILES for 4-ethyl-1-methylpyrrolidin-3-one is CCC1CN(C)CC1=O.
What is the InChIKey of 4-ethyl-1-methylpyrrolidin-3-one?
The InChIKey is BCRVNTVDWJVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-4-8(2)5-7(6)9/h6H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1-methylpyrrolidin-3-one?
4-ethyl-1-methylpyrrolidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpyrrolidin-3-one is sourced from PubChem (CID 20697377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).