(3Z)-3-ethylidenepyrrolidin-2-one

C6H9NO — CID 5317249

IUPAC(3Z)-3-ethylidenepyrrolidin-2-one
SMILESC/C=C1/CCNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2H,3-4H2,1H3,(H,7,8)/b5-2-
InChIKeyBUDPEUONKOXMQX-DJWKRKHSSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

About (3Z)-3-ethylidenepyrrolidin-2-one

(3Z)-3-ethylidenepyrrolidin-2-one (PubChem CID 5317249) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3Z)-3-ethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidenepyrrolidin-2-one
PubChem CID5317249
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3Z)-3-ethylidenepyrrolidin-2-one
SMILESC/C=C1/CCNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2H,3-4H2,1H3,(H,7,8)/b5-2-
InChIKeyBUDPEUONKOXMQX-DJWKRKHSSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethylidenepyrrolidin-2-one?
The IUPAC name of (3Z)-3-ethylidenepyrrolidin-2-one (CID 5317249) is (3Z)-3-ethylidenepyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-ethylidenepyrrolidin-2-one?
The canonical SMILES for (3Z)-3-ethylidenepyrrolidin-2-one is C/C=C1/CCNC1=O.
What is the InChIKey of (3Z)-3-ethylidenepyrrolidin-2-one?
The InChIKey is BUDPEUONKOXMQX-DJWKRKHSSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2H,3-4H2,1H3,(H,7,8)/b5-2-.
What are the key properties of (3Z)-3-ethylidenepyrrolidin-2-one?
(3Z)-3-ethylidenepyrrolidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidenepyrrolidin-2-one is sourced from PubChem (CID 5317249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).