3-cyclohexylimino-1H-indol-2-one

C14H16N2O — CID 135536870

IUPAC3-cyclohexylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/C1CCCCC1
InChIInChI=1S/C14H16N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H,15,16,17)
InChIKeyDDUSUSPPJVZOTN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.76
Rot. Bonds1

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

3-cyclohexylimino-1H-indol-2-one (PubChem CID 135536870) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclohexylimino-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexylimino-1H-indol-2-one
PubChem CID135536870
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-cyclohexylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/C1CCCCC1
InChIInChI=1S/C14H16N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H,15,16,17)
InChIKeyDDUSUSPPJVZOTN-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.76
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-cyclohexylimino-1H-indol-2-one?
The IUPAC name of 3-cyclohexylimino-1H-indol-2-one (CID 135536870) is 3-cyclohexylimino-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexylimino-1H-indol-2-one?
The canonical SMILES for 3-cyclohexylimino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/C1CCCCC1.
What is the InChIKey of 3-cyclohexylimino-1H-indol-2-one?
The InChIKey is DDUSUSPPJVZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H,15,16,17).
What are the key properties of 3-cyclohexylimino-1H-indol-2-one?
3-cyclohexylimino-1H-indol-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-1H-indol-2-one is sourced from PubChem (CID 135536870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).