2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C16H16FNO — CID 83206825

IUPAC2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11H,1-4,9H2
InChIKeyGUFVFMDZZSVUBQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.58
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83206825) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83206825
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11H,1-4,9H2
InChIKeyGUFVFMDZZSVUBQ-UHFFFAOYSA-N
XLogP3.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83206825) is 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is O=C1CCCCc2cn(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is GUFVFMDZZSVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11H,1-4,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 257.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83206825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).