3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol

C12H14N2O — CID 141126258

IUPAC3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
SMILESCC/N=C(\C)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-13-8(2)11-9-6-4-5-7-10(9)14-12(11)15/h4-7,14-15H,3H2,1-2H3/b13-8+
InChIKeyMGVXZYSNHQXLDW-MDWZMJQESA-N
MW202.26 g/mol
LogP2.70
Rot. Bonds2

About 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol

3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol (PubChem CID 141126258) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
PubChem CID141126258
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
SMILESCC/N=C(\C)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-13-8(2)11-9-6-4-5-7-10(9)14-12(11)15/h4-7,14-15H,3H2,1-2H3/b13-8+
InChIKeyMGVXZYSNHQXLDW-MDWZMJQESA-N
XLogP2.70
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.70
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-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol?
The IUPAC name of 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol (CID 141126258) is 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol?
The canonical SMILES for 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol is CC/N=C(\C)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol?
The InChIKey is MGVXZYSNHQXLDW-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-13-8(2)11-9-6-4-5-7-10(9)14-12(11)15/h4-7,14-15H,3H2,1-2H3/b13-8+.
What are the key properties of 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol?
3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol has a molecular weight of 202.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol is sourced from PubChem (CID 141126258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).