3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

C16H15NO4 — CID 4528467

IUPAC3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C16H15NO4/c1-10-7-8-14(21-10)13(18)9-16(20)11-5-3-4-6-12(11)17(2)15(16)19/h3-8,20H,9H2,1-2H3
InChIKeyHGKFPUYSLZZUNM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.03
Rot. Bonds3

About 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (PubChem CID 4528467) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
PubChem CID4528467
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C16H15NO4/c1-10-7-8-14(21-10)13(18)9-16(20)11-5-3-4-6-12(11)17(2)15(16)19/h3-8,20H,9H2,1-2H3
InChIKeyHGKFPUYSLZZUNM-UHFFFAOYSA-N
XLogP2.03
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 663621
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CID 663990
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CID 664460
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CID 972947
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CID 1247770
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (CID 4528467) is 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1.
What is the InChIKey of 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The InChIKey is HGKFPUYSLZZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-7-8-14(21-10)13(18)9-16(20)11-5-3-4-6-12(11)17(2)15(16)19/h3-8,20H,9H2,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 4528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).