1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C12H17NO — CID 142236931

IUPAC1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(CC)C1
InChIInChI=1S/C12H17NO/c1-4-7-10-9-13(6-3)12(14)11(10)8-5-2/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5-
InChIKeyYNQPPQSISJQMDW-IUNAMMOKSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

About 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one

1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 142236931) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID142236931
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(CC)C1
InChIInChI=1S/C12H17NO/c1-4-7-10-9-13(6-3)12(14)11(10)8-5-2/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5-
InChIKeyYNQPPQSISJQMDW-IUNAMMOKSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 142236931) is 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C/C=C\C1=C(/C=C\C)C(=O)N(CC)C1.
What is the InChIKey of 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is YNQPPQSISJQMDW-IUNAMMOKSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-7-10-9-13(6-3)12(14)11(10)8-5-2/h4-5,7-8H,6,9H2,1-3H3/b7-4-,8-5-.
What are the key properties of 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 142236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).