1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one

C21H23F2NO3 — CID 143635734

IUPAC1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(C)(C)C(=O)N1C(c1cccc(F)c1)C1COCO1
InChIInChI=1S/C21H23F2NO3/c1-5-7-16-18(13(2)22)24(20(25)21(16,3)4)19(17-11-26-12-27-17)14-8-6-9-15(23)10-14/h5-10,17,19H,2,11-12H2,1,3-4H3/b7-5-
InChIKeyHZSGGGXMCLQDAY-ALCCZGGFSA-N
MW375.42 g/mol
LogP4.42
Rot. Bonds5

About 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one

1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one (PubChem CID 143635734) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one.

Molecular Properties

Compound Name1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one
PubChem CID143635734
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one
SMILESC=C(F)C1=C(/C=C\C)C(C)(C)C(=O)N1C(c1cccc(F)c1)C1COCO1
InChIInChI=1S/C21H23F2NO3/c1-5-7-16-18(13(2)22)24(20(25)21(16,3)4)19(17-11-26-12-27-17)14-8-6-9-15(23)10-14/h5-10,17,19H,2,11-12H2,1,3-4H3/b7-5-
InChIKeyHZSGGGXMCLQDAY-ALCCZGGFSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The IUPAC name of 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one (CID 143635734) is 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one.
What is the SMILES notation for 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The canonical SMILES for 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one is C=C(F)C1=C(/C=C\C)C(C)(C)C(=O)N1C(c1cccc(F)c1)C1COCO1.
What is the InChIKey of 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
The InChIKey is HZSGGGXMCLQDAY-ALCCZGGFSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-5-7-16-18(13(2)22)24(20(25)21(16,3)4)19(17-11-26-12-27-17)14-8-6-9-15(23)10-14/h5-10,17,19H,2,11-12H2,1,3-4H3/b7-5-.
What are the key properties of 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one?
1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one has a molecular weight of 375.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dioxolan-4-yl-(3-fluorophenyl)methyl]-5-(1-fluoroethenyl)-3,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrol-2-one is sourced from PubChem (CID 143635734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).