1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one

C16H24FNO — CID 176704151

IUPAC1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(CC)(C(C)C)C(=O)N1CC
InChIInChI=1S/C16H24FNO/c1-7-10-13-14(12(6)17)18(9-3)15(19)16(13,8-2)11(4)5/h7,10-11H,6,8-9H2,1-5H3/b10-7-
InChIKeyMIJQDSUIQAWRHD-YFHOEESVSA-N
MW265.37 g/mol
LogP4.21
Rot. Bonds5

About 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one

1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one (PubChem CID 176704151) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
PubChem CID176704151
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(CC)(C(C)C)C(=O)N1CC
InChIInChI=1S/C16H24FNO/c1-7-10-13-14(12(6)17)18(9-3)15(19)16(13,8-2)11(4)5/h7,10-11H,6,8-9H2,1-5H3/b10-7-
InChIKeyMIJQDSUIQAWRHD-YFHOEESVSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The IUPAC name of 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one (CID 176704151) is 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one.
What is the SMILES notation for 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The canonical SMILES for 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one is C=C(F)C1=C(/C=C\C)C(CC)(C(C)C)C(=O)N1CC.
What is the InChIKey of 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The InChIKey is MIJQDSUIQAWRHD-YFHOEESVSA-N. The full InChI is InChI=1S/C16H24FNO/c1-7-10-13-14(12(6)17)18(9-3)15(19)16(13,8-2)11(4)5/h7,10-11H,6,8-9H2,1-5H3/b10-7-.
What are the key properties of 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one has a molecular weight of 265.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one is sourced from PubChem (CID 176704151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).