2-indol-2-ylidene-N-methylacetamide

C11H10N2O — CID 87430797

IUPAC2-indol-2-ylidene-N-methylacetamide
SMILESCNC(=O)C=C1C=c2ccccc2=N1
InChIInChI=1S/C11H10N2O/c1-12-11(14)7-9-6-8-4-2-3-5-10(8)13-9/h2-7H,1H3,(H,12,14)
InChIKeyNCMNIGKSIUVKON-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.27
Rot. Bonds1

About 2-indol-2-ylidene-N-methylacetamide

2-indol-2-ylidene-N-methylacetamide (PubChem CID 87430797) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-indol-2-ylidene-N-methylacetamide.

Molecular Properties

Compound Name2-indol-2-ylidene-N-methylacetamide
PubChem CID87430797
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-indol-2-ylidene-N-methylacetamide
SMILESCNC(=O)C=C1C=c2ccccc2=N1
InChIInChI=1S/C11H10N2O/c1-12-11(14)7-9-6-8-4-2-3-5-10(8)13-9/h2-7H,1H3,(H,12,14)
InChIKeyNCMNIGKSIUVKON-UHFFFAOYSA-N
XLogP-0.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-indol-2-ylidene-N-methylacetamide?
The IUPAC name of 2-indol-2-ylidene-N-methylacetamide (CID 87430797) is 2-indol-2-ylidene-N-methylacetamide.
What is the SMILES notation for 2-indol-2-ylidene-N-methylacetamide?
The canonical SMILES for 2-indol-2-ylidene-N-methylacetamide is CNC(=O)C=C1C=c2ccccc2=N1.
What is the InChIKey of 2-indol-2-ylidene-N-methylacetamide?
The InChIKey is NCMNIGKSIUVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-12-11(14)7-9-6-8-4-2-3-5-10(8)13-9/h2-7H,1H3,(H,12,14).
What are the key properties of 2-indol-2-ylidene-N-methylacetamide?
2-indol-2-ylidene-N-methylacetamide has a molecular weight of 186.21 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-2-ylidene-N-methylacetamide is sourced from PubChem (CID 87430797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).