1,4-diethyl-3-methylidenepyrrolidin-2-one

C9H15NO — CID 150241285

IUPAC1,4-diethyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(CC)CC1CC
InChIInChI=1S/C9H15NO/c1-4-8-6-10(5-2)9(11)7(8)3/h8H,3-6H2,1-2H3
InChIKeyFXOYCRXQLNIDKI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds2

About 1,4-diethyl-3-methylidenepyrrolidin-2-one

1,4-diethyl-3-methylidenepyrrolidin-2-one (PubChem CID 150241285) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,4-diethyl-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,4-diethyl-3-methylidenepyrrolidin-2-one
PubChem CID150241285
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,4-diethyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(CC)CC1CC
InChIInChI=1S/C9H15NO/c1-4-8-6-10(5-2)9(11)7(8)3/h8H,3-6H2,1-2H3
InChIKeyFXOYCRXQLNIDKI-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 146560714
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
4-Pentenamide, N,N-diethyl-4-methyl-2-methylene-
CID 556830
1,4-Dimethyl-3-methylidenepyrrolidin-2-one
CID 12294828
1-Ethyl-4-methyl-3-methylidenepyrrolidin-2-one
CID 12294829
1,3-Dimethyl-4-methylidenepyrrolidin-2-one
CID 12294832
N,N-diethyl-2-methylidenepentanamide
CID 12525277
1-Butyl-3-methylidenepyrrolidin-2-one
CID 14356465
5,5-Dimethyl-3-methylidene-1-prop-2-enylpyrrolidin-2-one
CID 20279184
1-(2-Ethylhexyl)-3-methylidenepyrrolidine-2,5-dione
CID 22245524
1-(3-Ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one
CID 22960024

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3-methylidenepyrrolidin-2-one?
The IUPAC name of 1,4-diethyl-3-methylidenepyrrolidin-2-one (CID 150241285) is 1,4-diethyl-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,4-diethyl-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,4-diethyl-3-methylidenepyrrolidin-2-one is C=C1C(=O)N(CC)CC1CC.
What is the InChIKey of 1,4-diethyl-3-methylidenepyrrolidin-2-one?
The InChIKey is FXOYCRXQLNIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-6-10(5-2)9(11)7(8)3/h8H,3-6H2,1-2H3.
What are the key properties of 1,4-diethyl-3-methylidenepyrrolidin-2-one?
1,4-diethyl-3-methylidenepyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 150241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).