2-(5-methyl-1H-indol-6-yl)prop-2-enamide

C12H12N2O — CID 176897956

IUPAC2-(5-methyl-1H-indol-6-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1cc2[nH]ccc2cc1C
InChIInChI=1S/C12H12N2O/c1-7-5-9-3-4-14-11(9)6-10(7)8(2)12(13)15/h3-6,14H,2H2,1H3,(H2,13,15)
InChIKeyWBHJXHBRYAJDMR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.97
Rot. Bonds2

About 2-(5-methyl-1H-indol-6-yl)prop-2-enamide

2-(5-methyl-1H-indol-6-yl)prop-2-enamide (PubChem CID 176897956) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-6-yl)prop-2-enamide
PubChem CID176897956
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(5-methyl-1H-indol-6-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1cc2[nH]ccc2cc1C
InChIInChI=1S/C12H12N2O/c1-7-5-9-3-4-14-11(9)6-10(7)8(2)12(13)15/h3-6,14H,2H2,1H3,(H2,13,15)
InChIKeyWBHJXHBRYAJDMR-UHFFFAOYSA-N
XLogP1.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(5-methyl-1H-indol-6-yl)prop-2-enamide?
The IUPAC name of 2-(5-methyl-1H-indol-6-yl)prop-2-enamide (CID 176897956) is 2-(5-methyl-1H-indol-6-yl)prop-2-enamide.
What is the SMILES notation for 2-(5-methyl-1H-indol-6-yl)prop-2-enamide?
The canonical SMILES for 2-(5-methyl-1H-indol-6-yl)prop-2-enamide is C=C(C(N)=O)c1cc2[nH]ccc2cc1C.
What is the InChIKey of 2-(5-methyl-1H-indol-6-yl)prop-2-enamide?
The InChIKey is WBHJXHBRYAJDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-5-9-3-4-14-11(9)6-10(7)8(2)12(13)15/h3-6,14H,2H2,1H3,(H2,13,15).
What are the key properties of 2-(5-methyl-1H-indol-6-yl)prop-2-enamide?
2-(5-methyl-1H-indol-6-yl)prop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-6-yl)prop-2-enamide is sourced from PubChem (CID 176897956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).