6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione

C14H18N2O2 — CID 43586469

IUPAC6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione
SMILESCCC(CC)N(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C14H18N2O2/c1-4-9(5-2)16(3)10-6-7-11-12(8-10)15-14(18)13(11)17/h6-9H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyINQIEPMJNSEWCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds4

About 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione

6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione (PubChem CID 43586469) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione
PubChem CID43586469
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione
SMILESCCC(CC)N(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C14H18N2O2/c1-4-9(5-2)16(3)10-6-7-11-12(8-10)15-14(18)13(11)17/h6-9H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyINQIEPMJNSEWCA-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione (CID 43586469) is 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione is CCC(CC)N(C)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione?
The InChIKey is INQIEPMJNSEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(5-2)16(3)10-6-7-11-12(8-10)15-14(18)13(11)17/h6-9H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione?
6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione has a molecular weight of 246.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pentan-3-yl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 43586469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).