[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid

C13H13FN2O4 — CID 155141644

IUPAC[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)COc1ccc2c(c1)CNC2=O
InChIInChI=1S/C13H13FN2O4/c14-4-8(5-16-13(18)19)7-20-10-1-2-11-9(3-10)6-15-12(11)17/h1-4,16H,5-7H2,(H,15,17)(H,18,19)/b8-4-
InChIKeyMIOAMUVABPSAIW-YWEYNIOJSA-N
MW280.25 g/mol
LogP1.43
Rot. Bonds5

About [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid

[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid (PubChem CID 155141644) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid
PubChem CID155141644
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)COc1ccc2c(c1)CNC2=O
InChIInChI=1S/C13H13FN2O4/c14-4-8(5-16-13(18)19)7-20-10-1-2-11-9(3-10)6-15-12(11)17/h1-4,16H,5-7H2,(H,15,17)(H,18,19)/b8-4-
InChIKeyMIOAMUVABPSAIW-YWEYNIOJSA-N
XLogP1.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid?
The IUPAC name of [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid (CID 155141644) is [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid is O=C(O)NC/C(=C/F)COc1ccc2c(c1)CNC2=O.
What is the InChIKey of [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid?
The InChIKey is MIOAMUVABPSAIW-YWEYNIOJSA-N. The full InChI is InChI=1S/C13H13FN2O4/c14-4-8(5-16-13(18)19)7-20-10-1-2-11-9(3-10)6-15-12(11)17/h1-4,16H,5-7H2,(H,15,17)(H,18,19)/b8-4-.
What are the key properties of [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid?
[(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid has a molecular weight of 280.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)oxymethyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 155141644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).