(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one

C15H12N2O6 — CID 7479372

IUPAC(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O6/c1-16-11-5-4-9(17(21)22)7-10(11)15(20,14(16)19)8-12(18)13-3-2-6-23-13/h2-7,20H,8H2,1H3/t15-/m1/s1
InChIKeyYDCIXZCWTQIGPM-OAHLLOKOSA-N
MW316.27 g/mol
LogP1.62
Rot. Bonds4

About (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one

(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one (PubChem CID 7479372) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
PubChem CID7479372
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O6/c1-16-11-5-4-9(17(21)22)7-10(11)15(20,14(16)19)8-12(18)13-3-2-6-23-13/h2-7,20H,8H2,1H3/t15-/m1/s1
InChIKeyYDCIXZCWTQIGPM-OAHLLOKOSA-N
XLogP1.62
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
CID 2949052
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 7353308
(3S)-5-bromo-3-hydroxy-1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 7281198
(3S)-3-hydroxy-1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 6927066
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2984461
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
(3R)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 7013974
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
CID 95244730
5-bromo-3-hydroxy-1-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 17138995
(3R)-5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 27522889
(3R)-5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40878298
5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131287

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one?
The IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one (CID 7479372) is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one.
What is the SMILES notation for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one?
The canonical SMILES for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one is CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one?
The InChIKey is YDCIXZCWTQIGPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-16-11-5-4-9(17(21)22)7-10(11)15(20,14(16)19)8-12(18)13-3-2-6-23-13/h2-7,20H,8H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one?
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one has a molecular weight of 316.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one is sourced from PubChem (CID 7479372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).