1,5-diamino-2H-indol-3-one

C8H9N3O — CID 67892011

IUPAC1,5-diamino-2H-indol-3-one
SMILESNc1ccc2c(c1)C(=O)CN2N
InChIInChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(12)4-11(7)10/h1-3H,4,9-10H2
InChIKeyUKUKURHSPHORDP-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.15
Rot. Bonds

About 1,5-diamino-2H-indol-3-one

1,5-diamino-2H-indol-3-one (PubChem CID 67892011) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,5-diamino-2H-indol-3-one.

Molecular Properties

Compound Name1,5-diamino-2H-indol-3-one
PubChem CID67892011
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1,5-diamino-2H-indol-3-one
SMILESNc1ccc2c(c1)C(=O)CN2N
InChIInChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(12)4-11(7)10/h1-3H,4,9-10H2
InChIKeyUKUKURHSPHORDP-UHFFFAOYSA-N
XLogP0.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4,7-diamino-3,4-dihydro-2H-naphthalen-1-one
CID 130040403
6-amino-2-(2-ethylsulfonylethyl)-3H-isoindol-1-one
CID 106729407
9H-fluorene-3,6-diamine
CID 23110770
5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
CID 125478045
5,6-dihydroxy-1-methyl-2H-indol-3-one
CID 12556

Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-2H-indol-3-one?
The IUPAC name of 1,5-diamino-2H-indol-3-one (CID 67892011) is 1,5-diamino-2H-indol-3-one.
What is the SMILES notation for 1,5-diamino-2H-indol-3-one?
The canonical SMILES for 1,5-diamino-2H-indol-3-one is Nc1ccc2c(c1)C(=O)CN2N.
What is the InChIKey of 1,5-diamino-2H-indol-3-one?
The InChIKey is UKUKURHSPHORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(12)4-11(7)10/h1-3H,4,9-10H2.
What are the key properties of 1,5-diamino-2H-indol-3-one?
1,5-diamino-2H-indol-3-one has a molecular weight of 163.18 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2H-indol-3-one is sourced from PubChem (CID 67892011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).