2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione

C14H14FNO3 — CID 139227594

IUPAC2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione
SMILESO=C1OCCC2C(=O)N(Cc3ccc(F)cc3)CC12
InChIInChI=1S/C14H14FNO3/c15-10-3-1-9(2-4-10)7-16-8-12-11(13(16)17)5-6-19-14(12)18/h1-4,11-12H,5-8H2
InChIKeyUAXPIGYMGQGSDG-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.35
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione

2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione (PubChem CID 139227594) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione
PubChem CID139227594
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione
SMILESO=C1OCCC2C(=O)N(Cc3ccc(F)cc3)CC12
InChIInChI=1S/C14H14FNO3/c15-10-3-1-9(2-4-10)7-16-8-12-11(13(16)17)5-6-19-14(12)18/h1-4,11-12H,5-8H2
InChIKeyUAXPIGYMGQGSDG-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione with MolForge

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Related Compounds

Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98909
2-[(3aR,7S,7aS)-2-[(4-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379926
Methyl (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 688040
Ethyl trans-3-benzyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-6-carboxylate
CID 11033026
Methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45172031
Methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45178498
Methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45184859
2-[(3aR,7S,7aS)-2-[(4-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 127021421
2-[(3aR,7S,7aS)-2-benzyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 127021423
[(3aS,7R,7aS)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 134690041
Ethyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 23326515
ethyl (2S)-4-fluoro-2-[(3S)-2-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]butanoate
CID 139782004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione (CID 139227594) is 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione is O=C1OCCC2C(=O)N(Cc3ccc(F)cc3)CC12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione?
The InChIKey is UAXPIGYMGQGSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-10-3-1-9(2-4-10)7-16-8-12-11(13(16)17)5-6-19-14(12)18/h1-4,11-12H,5-8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione?
2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione has a molecular weight of 263.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3a,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-1,4-dione is sourced from PubChem (CID 139227594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).