2-(furan-2-carbonyl)-3H-isoindol-1-one

C13H9NO3 — CID 102488354

IUPAC2-(furan-2-carbonyl)-3H-isoindol-1-one
SMILESO=C(c1ccco1)N1Cc2ccccc2C1=O
InChIInChI=1S/C13H9NO3/c15-12-10-5-2-1-4-9(10)8-14(12)13(16)11-6-3-7-17-11/h1-7H,8H2
InChIKeyNQNGZVGZMQWFDG-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.08
Rot. Bonds1

About 2-(furan-2-carbonyl)-3H-isoindol-1-one

2-(furan-2-carbonyl)-3H-isoindol-1-one (PubChem CID 102488354) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-3H-isoindol-1-one
PubChem CID102488354
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(furan-2-carbonyl)-3H-isoindol-1-one
SMILESO=C(c1ccco1)N1Cc2ccccc2C1=O
InChIInChI=1S/C13H9NO3/c15-12-10-5-2-1-4-9(10)8-14(12)13(16)11-6-3-7-17-11/h1-7H,8H2
InChIKeyNQNGZVGZMQWFDG-UHFFFAOYSA-N
XLogP2.08
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one
CID 92688588
2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
2-(1-methylpyrazole-3-carbonyl)-3H-isoindol-1-one
CID 172726903
methyl 2-(3-oxo-1H-isoindole-2-carbonyl)-1,3-oxazole-4-carboxylate
CID 67304661
2-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078000
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
2-[(1R)-1-(3,4-dimethoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 92691087
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
furan-2-yl-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107388672
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-3H-isoindol-1-one?
The IUPAC name of 2-(furan-2-carbonyl)-3H-isoindol-1-one (CID 102488354) is 2-(furan-2-carbonyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(furan-2-carbonyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(furan-2-carbonyl)-3H-isoindol-1-one is O=C(c1ccco1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(furan-2-carbonyl)-3H-isoindol-1-one?
The InChIKey is NQNGZVGZMQWFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12-10-5-2-1-4-9(10)8-14(12)13(16)11-6-3-7-17-11/h1-7H,8H2.
What are the key properties of 2-(furan-2-carbonyl)-3H-isoindol-1-one?
2-(furan-2-carbonyl)-3H-isoindol-1-one has a molecular weight of 227.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-3H-isoindol-1-one is sourced from PubChem (CID 102488354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).