5,6-diamino-1,3,3-trimethylindol-2-one

C11H15N3O — CID 23092656

IUPAC5,6-diamino-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C11H15N3O/c1-11(2)6-4-7(12)8(13)5-9(6)14(3)10(11)15/h4-5H,12-13H2,1-3H3
InChIKeyWYTBXXNEGFCMFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.11
Rot. Bonds

About 5,6-diamino-1,3,3-trimethylindol-2-one

5,6-diamino-1,3,3-trimethylindol-2-one (PubChem CID 23092656) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6-diamino-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1,3,3-trimethylindol-2-one
PubChem CID23092656
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5,6-diamino-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C11H15N3O/c1-11(2)6-4-7(12)8(13)5-9(6)14(3)10(11)15/h4-5H,12-13H2,1-3H3
InChIKeyWYTBXXNEGFCMFE-UHFFFAOYSA-N
XLogP1.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.11
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-1,3,3-trimethylindol-2-one?
The IUPAC name of 5,6-diamino-1,3,3-trimethylindol-2-one (CID 23092656) is 5,6-diamino-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5,6-diamino-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5,6-diamino-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(N)c(N)cc21.
What is the InChIKey of 5,6-diamino-1,3,3-trimethylindol-2-one?
The InChIKey is WYTBXXNEGFCMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2)6-4-7(12)8(13)5-9(6)14(3)10(11)15/h4-5H,12-13H2,1-3H3.
What are the key properties of 5,6-diamino-1,3,3-trimethylindol-2-one?
5,6-diamino-1,3,3-trimethylindol-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 23092656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).