6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione

C16H20N2O2 — CID 107399167

IUPAC6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione
SMILESCCN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H20N2O2/c1-3-18(10-11-5-4-6-11)12-7-8-13-14(9-12)17(2)16(20)15(13)19/h7-9,11H,3-6,10H2,1-2H3
InChIKeyDACAKUURNWXVPY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds4

About 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione

6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione (PubChem CID 107399167) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione
PubChem CID107399167
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione
SMILESCCN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H20N2O2/c1-3-18(10-11-5-4-6-11)12-7-8-13-14(9-12)17(2)16(20)15(13)19/h7-9,11H,3-6,10H2,1-2H3
InChIKeyDACAKUURNWXVPY-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
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-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione (CID 107399167) is 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione is CCN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione?
The InChIKey is DACAKUURNWXVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18(10-11-5-4-6-11)12-7-8-13-14(9-12)17(2)16(20)15(13)19/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione?
6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(ethyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 107399167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).