2-(5-methylindol-1-yl)-N-prop-2-enylacetamide

C14H16N2O — CID 116623020

IUPAC2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1ccc2cc(C)ccc21
InChIInChI=1S/C14H16N2O/c1-3-7-15-14(17)10-16-8-6-12-9-11(2)4-5-13(12)16/h3-6,8-9H,1,7,10H2,2H3,(H,15,17)
InChIKeyOAHLYLSVGDSLIE-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.25
Rot. Bonds4

About 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide

2-(5-methylindol-1-yl)-N-prop-2-enylacetamide (PubChem CID 116623020) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
PubChem CID116623020
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1ccc2cc(C)ccc21
InChIInChI=1S/C14H16N2O/c1-3-7-15-14(17)10-16-8-6-12-9-11(2)4-5-13(12)16/h3-6,8-9H,1,7,10H2,2H3,(H,15,17)
InChIKeyOAHLYLSVGDSLIE-UHFFFAOYSA-N
XLogP2.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
N-ethyl-2-(5-formylindol-1-yl)acetamide
CID 102910515
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
N-(2,5-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110830986
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide (CID 116623020) is 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1ccc2cc(C)ccc21.
What is the InChIKey of 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is OAHLYLSVGDSLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-7-15-14(17)10-16-8-6-12-9-11(2)4-5-13(12)16/h3-6,8-9H,1,7,10H2,2H3,(H,15,17).
What are the key properties of 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide?
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 228.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 116623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).