(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one

C8H13NO2 — CID 59255548

IUPAC(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one
SMILESCOC/C=C1/CCN(C)C1=O
InChIInChI=1S/C8H13NO2/c1-9-5-3-7(8(9)10)4-6-11-2/h4H,3,5-6H2,1-2H3/b7-4-
InChIKeyKPBGWMJCFNADJC-DAXSKMNVSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds2

About (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one

(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one (PubChem CID 59255548) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one
PubChem CID59255548
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one
SMILESCOC/C=C1/CCN(C)C1=O
InChIInChI=1S/C8H13NO2/c1-9-5-3-7(8(9)10)4-6-11-2/h4H,3,5-6H2,1-2H3/b7-4-
InChIKeyKPBGWMJCFNADJC-DAXSKMNVSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one?
The IUPAC name of (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one (CID 59255548) is (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one?
The canonical SMILES for (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one is COC/C=C1/CCN(C)C1=O.
What is the InChIKey of (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one?
The InChIKey is KPBGWMJCFNADJC-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-5-3-7(8(9)10)4-6-11-2/h4H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one?
(3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-methoxyethylidene)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 59255548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).