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

C18H28FNO — CID 177033249

IUPAC3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(C(C)C)(C(C)CC)C(=O)N1CC
InChIInChI=1S/C18H28FNO/c1-8-11-15-16(14(7)19)20(10-3)17(21)18(15,12(4)5)13(6)9-2/h8,11-13H,7,9-10H2,1-6H3/b11-8-
InChIKeyGGWHEFKNKCLKMN-FLIBITNWSA-N
MW293.43 g/mol
LogP4.85
Rot. Bonds6

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

3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one (PubChem CID 177033249) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one.

Molecular Properties

Compound Name3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
PubChem CID177033249
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(C(C)C)(C(C)CC)C(=O)N1CC
InChIInChI=1S/C18H28FNO/c1-8-11-15-16(14(7)19)20(10-3)17(21)18(15,12(4)5)13(6)9-2/h8,11-13H,7,9-10H2,1-6H3/b11-8-
InChIKeyGGWHEFKNKCLKMN-FLIBITNWSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The IUPAC name of 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one (CID 177033249) is 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one.
What is the SMILES notation for 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The canonical SMILES for 3-butan-2-yl-1-ethyl-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(C(C)C)(C(C)CC)C(=O)N1CC.
What is the InChIKey of 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The InChIKey is GGWHEFKNKCLKMN-FLIBITNWSA-N. The full InChI is InChI=1S/C18H28FNO/c1-8-11-15-16(14(7)19)20(10-3)17(21)18(15,12(4)5)13(6)9-2/h8,11-13H,7,9-10H2,1-6H3/b11-8-.
What are the key properties of 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one has a molecular weight of 293.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one is sourced from PubChem (CID 177033249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).