3-methylimino-1H-indol-2-one

C9H8N2O — CID 135522218

IUPAC3-methylimino-1H-indol-2-one
SMILESC/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeySWTVGPCFAKJHDN-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.06
Rot. Bonds

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

3-methylimino-1H-indol-2-one (PubChem CID 135522218) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methylimino-1H-indol-2-one.

Molecular Properties

Compound Name3-methylimino-1H-indol-2-one
PubChem CID135522218
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methylimino-1H-indol-2-one
SMILESC/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeySWTVGPCFAKJHDN-UHFFFAOYSA-N
XLogP1.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
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-methylimino-1H-indol-2-one?
The IUPAC name of 3-methylimino-1H-indol-2-one (CID 135522218) is 3-methylimino-1H-indol-2-one.
What is the SMILES notation for 3-methylimino-1H-indol-2-one?
The canonical SMILES for 3-methylimino-1H-indol-2-one is C/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-methylimino-1H-indol-2-one?
The InChIKey is SWTVGPCFAKJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)11-9(8)12/h2-5H,1H3,(H,10,11,12).
What are the key properties of 3-methylimino-1H-indol-2-one?
3-methylimino-1H-indol-2-one has a molecular weight of 160.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-1H-indol-2-one is sourced from PubChem (CID 135522218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).