6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one

C17H24N2O2 — CID 81301777

IUPAC6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCC(C)CCN(c1ccc2c(c1)N(C)C(=O)C2O)C1CC1
InChIInChI=1S/C17H24N2O2/c1-11(2)8-9-19(12-4-5-12)13-6-7-14-15(10-13)18(3)17(21)16(14)20/h6-7,10-12,16,20H,4-5,8-9H2,1-3H3
InChIKeyCIQKWAYPWHSLRU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.71
Rot. Bonds5

About 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one

6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81301777) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81301777
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCC(C)CCN(c1ccc2c(c1)N(C)C(=O)C2O)C1CC1
InChIInChI=1S/C17H24N2O2/c1-11(2)8-9-19(12-4-5-12)13-6-7-14-15(10-13)18(3)17(21)16(14)20/h6-7,10-12,16,20H,4-5,8-9H2,1-3H3
InChIKeyCIQKWAYPWHSLRU-UHFFFAOYSA-N
XLogP2.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one (CID 81301777) is 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is CC(C)CCN(c1ccc2c(c1)N(C)C(=O)C2O)C1CC1.
What is the InChIKey of 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is CIQKWAYPWHSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)8-9-19(12-4-5-12)13-6-7-14-15(10-13)18(3)17(21)16(14)20/h6-7,10-12,16,20H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81301777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).