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

C15H21N3O2 — CID 59300976

IUPAC5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCOC2CC2)c2cc(N)c(N)cc21
InChIInChI=1S/C15H21N3O2/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)5-6-20-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3
InChIKeySMMJZONMTYQCHI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.65
Rot. Bonds4

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

5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one (PubChem CID 59300976) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one
PubChem CID59300976
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCOC2CC2)c2cc(N)c(N)cc21
InChIInChI=1S/C15H21N3O2/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)5-6-20-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3
InChIKeySMMJZONMTYQCHI-UHFFFAOYSA-N
XLogP1.65
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyloxyethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one (CID 59300976) is 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one is CC1(C)C(=O)N(CCOC2CC2)c2cc(N)c(N)cc21.
What is the InChIKey of 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one?
The InChIKey is SMMJZONMTYQCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)10-7-11(16)12(17)8-13(10)18(14(15)19)5-6-20-9-3-4-9/h7-9H,3-6,16-17H2,1-2H3.
What are the key properties of 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one?
5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 59300976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).