5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one

C15H21N3O — CID 59301010

IUPAC5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCC2CC2)c2cc(N)c(N)cc21
InChIInChI=1S/C15H21N3O/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)6-5-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3
InChIKeyQIRBRFHRVWYJCS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds3

About 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one

5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one (PubChem CID 59301010) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one
PubChem CID59301010
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCC2CC2)c2cc(N)c(N)cc21
InChIInChI=1S/C15H21N3O/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)6-5-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3
InChIKeyQIRBRFHRVWYJCS-UHFFFAOYSA-N
XLogP2.28
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one (CID 59301010) is 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one is CC1(C)C(=O)N(CCC2CC2)c2cc(N)c(N)cc21.
What is the InChIKey of 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one?
The InChIKey is QIRBRFHRVWYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)6-5-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3.
What are the key properties of 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one?
5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(2-cyclopropylethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 59301010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).