3-imino-1H-indol-2-one

C8H6N2O — CID 135408804

IUPAC3-imino-1H-indol-2-one
SMILES[H]/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H,(H2,9,10,11)
InChIKeyDPUCWQUWEJBKPK-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.01
Rot. Bonds

About 3-imino-1H-indol-2-one

3-imino-1H-indol-2-one (PubChem CID 135408804) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-imino-1H-indol-2-one.

Molecular Properties

Compound Name3-imino-1H-indol-2-one
PubChem CID135408804
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name3-imino-1H-indol-2-one
SMILES[H]/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H,(H2,9,10,11)
InChIKeyDPUCWQUWEJBKPK-UHFFFAOYSA-N
XLogP1.01
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-1H-indol-2-one?
The IUPAC name of 3-imino-1H-indol-2-one (CID 135408804) is 3-imino-1H-indol-2-one.
What is the SMILES notation for 3-imino-1H-indol-2-one?
The canonical SMILES for 3-imino-1H-indol-2-one is [H]/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-imino-1H-indol-2-one?
The InChIKey is DPUCWQUWEJBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H,(H2,9,10,11).
What are the key properties of 3-imino-1H-indol-2-one?
3-imino-1H-indol-2-one has a molecular weight of 146.15 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1H-indol-2-one is sourced from PubChem (CID 135408804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).