4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C12H17NO — CID 155109473

IUPAC4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)CN(C(C)C)C1=O
InChIInChI=1S/C12H17NO/c1-5-7-10-8-13(9(3)4)12(14)11(10)6-2/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyONMXKRQEODVAMD-ALCCZGGFSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

About 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 155109473) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID155109473
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)CN(C(C)C)C1=O
InChIInChI=1S/C12H17NO/c1-5-7-10-8-13(9(3)4)12(14)11(10)6-2/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyONMXKRQEODVAMD-ALCCZGGFSA-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 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 155109473) is 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C=CC1=C(/C=C\C)CN(C(C)C)C1=O.
What is the InChIKey of 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is ONMXKRQEODVAMD-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-7-10-8-13(9(3)4)12(14)11(10)6-2/h5-7,9H,2,8H2,1,3-4H3/b7-5-.
What are the key properties of 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
4-ethenyl-1-propan-2-yl-3-[(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 4-ethenyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 155109473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).