2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide

C14H16N2O2 — CID 11402284

IUPAC2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
SMILESC=CCC1(CC(N)=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-3-8-14(9-12(15)17)10-6-4-5-7-11(10)16(2)13(14)18/h3-7H,1,8-9H2,2H3,(H2,15,17)
InChIKeySQCIAMBSLPDRHP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.35
Rot. Bonds4

About 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide

2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide (PubChem CID 11402284) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
PubChem CID11402284
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
SMILESC=CCC1(CC(N)=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-3-8-14(9-12(15)17)10-6-4-5-7-11(10)16(2)13(14)18/h3-7H,1,8-9H2,2H3,(H2,15,17)
InChIKeySQCIAMBSLPDRHP-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.35
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

3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
(3R)-1-methyl-3-prop-2-enyl-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 139193545
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
(3S)-3-(2-hydroxy-5-methylphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139191748
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide?
The IUPAC name of 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide (CID 11402284) is 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide is C=CCC1(CC(N)=O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide?
The InChIKey is SQCIAMBSLPDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-14(9-12(15)17)10-6-4-5-7-11(10)16(2)13(14)18/h3-7H,1,8-9H2,2H3,(H2,15,17).
What are the key properties of 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide?
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide is sourced from PubChem (CID 11402284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).