propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate

C14H15NO4 — CID 3157314

IUPACpropan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate
SMILESCc1cccc2c1N(CC(=O)OC(C)C)C(=O)C2=O
InChIInChI=1S/C14H15NO4/c1-8(2)19-11(16)7-15-12-9(3)5-4-6-10(12)13(17)14(15)18/h4-6,8H,7H2,1-3H3
InChIKeyUFBAHEPHZWBRSO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.48
Rot. Bonds3

About propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate

propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate (PubChem CID 3157314) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate
PubChem CID3157314
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namepropan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate
SMILESCc1cccc2c1N(CC(=O)OC(C)C)C(=O)C2=O
InChIInChI=1S/C14H15NO4/c1-8(2)19-11(16)7-15-12-9(3)5-4-6-10(12)13(17)14(15)18/h4-6,8H,7H2,1-3H3
InChIKeyUFBAHEPHZWBRSO-UHFFFAOYSA-N
XLogP1.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate (CID 3157314) is propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate is Cc1cccc2c1N(CC(=O)OC(C)C)C(=O)C2=O.
What is the InChIKey of propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate?
The InChIKey is UFBAHEPHZWBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)19-11(16)7-15-12-9(3)5-4-6-10(12)13(17)14(15)18/h4-6,8H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate?
propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(7-methyl-2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 3157314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).