3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one

C15H20N2O3 — CID 81309082

IUPAC3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one
SMILESCN(CC1CC(O)C1)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H20N2O3/c1-16(8-9-5-11(18)6-9)10-3-4-12-13(7-10)17(2)15(20)14(12)19/h3-4,7,9,11,14,18-19H,5-6,8H2,1-2H3
InChIKeyHZOBMJAWNCSCIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds3

About 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one

3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one (PubChem CID 81309082) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one
PubChem CID81309082
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one
SMILESCN(CC1CC(O)C1)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H20N2O3/c1-16(8-9-5-11(18)6-9)10-3-4-12-13(7-10)17(2)15(20)14(12)19/h3-4,7,9,11,14,18-19H,5-6,8H2,1-2H3
InChIKeyHZOBMJAWNCSCIG-UHFFFAOYSA-N
XLogP0.90
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
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-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one (CID 81309082) is 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one is CN(CC1CC(O)C1)c1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one?
The InChIKey is HZOBMJAWNCSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(8-9-5-11(18)6-9)10-3-4-12-13(7-10)17(2)15(20)14(12)19/h3-4,7,9,11,14,18-19H,5-6,8H2,1-2H3.
What are the key properties of 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one?
3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[(3-hydroxycyclobutyl)methyl-methylamino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81309082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).