1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine

C18H22F2N4O — CID 167245738

IUPAC1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine
SMILESC=CN/C(=N\C)NC(=C)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C18H22F2N4O/c1-4-22-18(21-3)23-12(2)10-14-8-9-16(25)24(14)11-13-6-5-7-15(19)17(13)20/h4-7,14H,1-2,8-11H2,3H3,(H2,21,22,23)
InChIKeyGFLQUOWANAOMDH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.67
Rot. Bonds6

About 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine

1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine (PubChem CID 167245738) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine.

Molecular Properties

Compound Name1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine
PubChem CID167245738
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine
SMILESC=CN/C(=N\C)NC(=C)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C18H22F2N4O/c1-4-22-18(21-3)23-12(2)10-14-8-9-16(25)24(14)11-13-6-5-7-15(19)17(13)20/h4-7,14H,1-2,8-11H2,3H3,(H2,21,22,23)
InChIKeyGFLQUOWANAOMDH-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine 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-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine?
The IUPAC name of 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine (CID 167245738) is 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine.
What is the SMILES notation for 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine?
The canonical SMILES for 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine is C=CN/C(=N\C)NC(=C)CC1CCC(=O)N1Cc1cccc(F)c1F.
What is the InChIKey of 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine?
The InChIKey is GFLQUOWANAOMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-4-22-18(21-3)23-12(2)10-14-8-9-16(25)24(14)11-13-6-5-7-15(19)17(13)20/h4-7,14H,1-2,8-11H2,3H3,(H2,21,22,23).
What are the key properties of 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine?
1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine has a molecular weight of 348.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine is sourced from PubChem (CID 167245738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).