2-ethynylindole-1-carboxamide

C11H8N2O — CID 121217418

IUPAC2-ethynylindole-1-carboxamide
SMILESC#Cc1cc2ccccc2n1C(N)=O
InChIInChI=1S/C11H8N2O/c1-2-9-7-8-5-3-4-6-10(8)13(9)11(12)14/h1,3-7H,(H2,12,14)
InChIKeyJBDOFKZWRSRUOW-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.55
Rot. Bonds

About 2-ethynylindole-1-carboxamide

2-ethynylindole-1-carboxamide (PubChem CID 121217418) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-ethynylindole-1-carboxamide.

Molecular Properties

Compound Name2-ethynylindole-1-carboxamide
PubChem CID121217418
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-ethynylindole-1-carboxamide
SMILESC#Cc1cc2ccccc2n1C(N)=O
InChIInChI=1S/C11H8N2O/c1-2-9-7-8-5-3-4-6-10(8)13(9)11(12)14/h1,3-7H,(H2,12,14)
InChIKeyJBDOFKZWRSRUOW-UHFFFAOYSA-N
XLogP1.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethynyl-1-methylindole
CID 12839097
2-(4-aminothiophen-2-yl)indole-1-carboxamide
CID 121254619
2-(1-oxamoylindol-2-yl)-2-oxoacetamide
CID 68855210
1-prop-2-ynylindole-2-carboxylic acid
CID 18327565
indazole-1-carboxamide;trihydrochloride
CID 173083346
(2-chlorophenyl)-(2-phenylindol-1-yl)methanone
CID 146166145
1-(dimethylamino)indole-2-carboxamide
CID 154319085
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
N-methoxy-2-methylindole-1-carboxamide
CID 166447410
amino-(2-carbamoylindol-1-yl)methanesulfonic acid
CID 174453323
2-(2-hydroxyindol-1-yl)acetamide
CID 150445707
1-(trifluoromethyl)indole-2-carboxamide
CID 141282028

Frequently Asked Questions

What is the IUPAC name of 2-ethynylindole-1-carboxamide?
The IUPAC name of 2-ethynylindole-1-carboxamide (CID 121217418) is 2-ethynylindole-1-carboxamide.
What is the SMILES notation for 2-ethynylindole-1-carboxamide?
The canonical SMILES for 2-ethynylindole-1-carboxamide is C#Cc1cc2ccccc2n1C(N)=O.
What is the InChIKey of 2-ethynylindole-1-carboxamide?
The InChIKey is JBDOFKZWRSRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-9-7-8-5-3-4-6-10(8)13(9)11(12)14/h1,3-7H,(H2,12,14).
What are the key properties of 2-ethynylindole-1-carboxamide?
2-ethynylindole-1-carboxamide has a molecular weight of 184.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylindole-1-carboxamide is sourced from PubChem (CID 121217418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).