(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one

C14H12N2O4 — CID 694879

IUPAC(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(O)CC(=NO)c1ccco1
InChIInChI=1S/C14H12N2O4/c17-13-14(18,9-4-1-2-5-10(9)15-13)8-11(16-19)12-6-3-7-20-12/h1-7,18-19H,8H2,(H,15,17)/t14-/m1/s1
InChIKeyRBGSZKSXKSMPHR-CQSZACIVSA-N
MW272.26 g/mol
LogP1.69
Rot. Bonds3

About (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one

(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 694879) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID694879
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(O)CC(=NO)c1ccco1
InChIInChI=1S/C14H12N2O4/c17-13-14(18,9-4-1-2-5-10(9)15-13)8-11(16-19)12-6-3-7-20-12/h1-7,18-19H,8H2,(H,15,17)/t14-/m1/s1
InChIKeyRBGSZKSXKSMPHR-CQSZACIVSA-N
XLogP1.69
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3R)-3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
CID 5412583
(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide
CID 137105715
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea
CID 30224379

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one (CID 694879) is (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2[C@]1(O)CC(=NO)c1ccco1.
What is the InChIKey of (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is RBGSZKSXKSMPHR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-14(18,9-4-1-2-5-10(9)15-13)8-11(16-19)12-6-3-7-20-12/h1-7,18-19H,8H2,(H,15,17)/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 272.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 694879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).