1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one

C12H19NO2 — CID 126748481

IUPAC1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one
SMILESCCC1=C(/C=C\COC)CN(CC)C1=O
InChIInChI=1S/C12H19NO2/c1-4-11-10(7-6-8-15-3)9-13(5-2)12(11)14/h6-7H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyFFIYNKWNFHENLX-SREVYHEPSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds5

About 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one

1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one (PubChem CID 126748481) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one
PubChem CID126748481
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one
SMILESCCC1=C(/C=C\COC)CN(CC)C1=O
InChIInChI=1S/C12H19NO2/c1-4-11-10(7-6-8-15-3)9-13(5-2)12(11)14/h6-7H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyFFIYNKWNFHENLX-SREVYHEPSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one (CID 126748481) is 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one is CCC1=C(/C=C\COC)CN(CC)C1=O.
What is the InChIKey of 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is FFIYNKWNFHENLX-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-11-10(7-6-8-15-3)9-13(5-2)12(11)14/h6-7H,4-5,8-9H2,1-3H3/b7-6-.
What are the key properties of 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one?
1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 209.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 126748481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).