2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid

C15H13NO4 — CID 43625930

IUPAC2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2Cc3ccccc3C2=O)cc1C(=O)O
InChIInChI=1S/C15H13NO4/c1-9-13(15(18)19)6-11(20-9)8-16-7-10-4-2-3-5-12(10)14(16)17/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyFSLOGDDYKGCBKP-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid

2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid (PubChem CID 43625930) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid
PubChem CID43625930
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2Cc3ccccc3C2=O)cc1C(=O)O
InChIInChI=1S/C15H13NO4/c1-9-13(15(18)19)6-11(20-9)8-16-7-10-4-2-3-5-12(10)14(16)17/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyFSLOGDDYKGCBKP-UHFFFAOYSA-N
XLogP2.44
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 887709
2-Diethylaminomethyl-5-phenyl-furan-3-carboxylic acid
CID 844978
2-(2-furylmethyl)-1H-isoindole-1,3(2H)-dione
CID 758210
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 24979971
5-({[(2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino}methyl)-3-furoic acid
CID 674054
2-(furan-2-ylmethyl)-3-hydroxy-3H-isoindol-1-one
CID 5309375
5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid hydrochloride
CID 16187039
5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid
CID 769110
2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 24248184
(3S*,4R*)-1-(2,5-dimethyl-3-furoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70736118
5-[[(4-Bromobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75383713
2-Methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid (CID 43625930) is 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid is Cc1oc(CN2Cc3ccccc3C2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid?
The InChIKey is FSLOGDDYKGCBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-13(15(18)19)6-11(20-9)8-16-7-10-4-2-3-5-12(10)14(16)17/h2-6H,7-8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid?
2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-oxo-1H-isoindol-2-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43625930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).