1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione

C15H18N2O2 — CID 61387778

IUPAC1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCNC1CC1)C(=O)C2=O
InChIInChI=1S/C15H18N2O2/c1-9-3-6-12-13(10(9)2)17(15(19)14(12)18)8-7-16-11-4-5-11/h3,6,11,16H,4-5,7-8H2,1-2H3
InChIKeyVVZBHKGBYIRIIU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione

1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione (PubChem CID 61387778) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione
PubChem CID61387778
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCNC1CC1)C(=O)C2=O
InChIInChI=1S/C15H18N2O2/c1-9-3-6-12-13(10(9)2)17(15(19)14(12)18)8-7-16-11-4-5-11/h3,6,11,16H,4-5,7-8H2,1-2H3
InChIKeyVVZBHKGBYIRIIU-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
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 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione (CID 61387778) is 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione is Cc1ccc2c(c1C)N(CCNC1CC1)C(=O)C2=O.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione?
The InChIKey is VVZBHKGBYIRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-3-6-12-13(10(9)2)17(15(19)14(12)18)8-7-16-11-4-5-11/h3,6,11,16H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione?
1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione is sourced from PubChem (CID 61387778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).