methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate

C14H15NO3 — CID 57389469

IUPACmethyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-14(9-8-12(16)18-3)10-6-4-5-7-11(10)15(2)13(14)17/h4-9H,1-3H3/b9-8+
InChIKeyXKRIWEVHGIKHGY-CMDGGOBGSA-N
MW245.28 g/mol
LogP1.65
Rot. Bonds2

About methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate

methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate (PubChem CID 57389469) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate
PubChem CID57389469
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-14(9-8-12(16)18-3)10-6-4-5-7-11(10)15(2)13(14)17/h4-9H,1-3H3/b9-8+
InChIKeyXKRIWEVHGIKHGY-CMDGGOBGSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(E)-2-(1,3-dimethyl-2-oxoindol-3-yl)ethenyl]benzoate
CID 135068479
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808
methyl N-[2-[3-[3-[2-(methoxycarbonylamino)ethyl]-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]ethyl]carbamate
CID 132572136
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate (CID 57389469) is methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate is COC(=O)/C=C/C1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate?
The InChIKey is XKRIWEVHGIKHGY-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(9-8-12(16)18-3)10-6-4-5-7-11(10)15(2)13(14)17/h4-9H,1-3H3/b9-8+.
What are the key properties of methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate?
methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate is sourced from PubChem (CID 57389469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).