3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one

C15H16N2O3 — CID 43586724

IUPAC3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCc1ccc(CN(C)c2ccc3c(c2)NC(=O)C3O)o1
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(20-9)8-17(2)10-4-6-12-13(7-10)16-15(19)14(12)18/h3-7,14,18H,8H2,1-2H3,(H,16,19)
InChIKeyLJYKASLPBHNTSG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.21
Rot. Bonds3

About 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one

3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one (PubChem CID 43586724) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
PubChem CID43586724
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCc1ccc(CN(C)c2ccc3c(c2)NC(=O)C3O)o1
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(20-9)8-17(2)10-4-6-12-13(7-10)16-15(19)14(12)18/h3-7,14,18H,8H2,1-2H3,(H,16,19)
InChIKeyLJYKASLPBHNTSG-UHFFFAOYSA-N
XLogP2.21
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one (CID 43586724) is 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one is Cc1ccc(CN(C)c2ccc3c(c2)NC(=O)C3O)o1.
What is the InChIKey of 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is LJYKASLPBHNTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-5-11(20-9)8-17(2)10-4-6-12-13(7-10)16-15(19)14(12)18/h3-7,14,18H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).