2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide

C14H12N2O2 — CID 102910989

IUPAC2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H12N2O2/c1-2-6-15-14(18)9-16-7-5-12-4-3-11(10-17)8-13(12)16/h1,3-5,7-8,10H,6,9H2,(H,15,18)
InChIKeyMOLVEXSQMMRYBH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds4

About 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide

2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide (PubChem CID 102910989) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide
PubChem CID102910989
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H12N2O2/c1-2-6-15-14(18)9-16-7-5-12-4-3-11(10-17)8-13(12)16/h1,3-5,7-8,10H,6,9H2,(H,15,18)
InChIKeyMOLVEXSQMMRYBH-UHFFFAOYSA-N
XLogP1.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide (CID 102910989) is 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ccc2ccc(C=O)cc21.
What is the InChIKey of 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is MOLVEXSQMMRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-6-15-14(18)9-16-7-5-12-4-3-11(10-17)8-13(12)16/h1,3-5,7-8,10H,6,9H2,(H,15,18).
What are the key properties of 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide?
2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 240.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-formylindol-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 102910989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).