(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate

C15H18N2O5 — CID 10518718

IUPAC(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate
SMILESCOC1=CC(=O)c2c(c(COC(N)=O)c(C(C)C)n2C)C1=O
InChIInChI=1S/C15H18N2O5/c1-7(2)12-8(6-22-15(16)20)11-13(17(12)3)9(18)5-10(21-4)14(11)19/h5,7H,6H2,1-4H3,(H2,16,20)
InChIKeyWRANDDDLZFGJDA-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.65
Rot. Bonds4

About (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate

(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate (PubChem CID 10518718) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate.

Molecular Properties

Compound Name(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate
PubChem CID10518718
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate
SMILESCOC1=CC(=O)c2c(c(COC(N)=O)c(C(C)C)n2C)C1=O
InChIInChI=1S/C15H18N2O5/c1-7(2)12-8(6-22-15(16)20)11-13(17(12)3)9(18)5-10(21-4)14(11)19/h5,7H,6H2,1-4H3,(H2,16,20)
InChIKeyWRANDDDLZFGJDA-UHFFFAOYSA-N
XLogP1.65
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate?
The IUPAC name of (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate (CID 10518718) is (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate.
What is the SMILES notation for (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate?
The canonical SMILES for (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate is COC1=CC(=O)c2c(c(COC(N)=O)c(C(C)C)n2C)C1=O.
What is the InChIKey of (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate?
The InChIKey is WRANDDDLZFGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-7(2)12-8(6-22-15(16)20)11-13(17(12)3)9(18)5-10(21-4)14(11)19/h5,7H,6H2,1-4H3,(H2,16,20).
What are the key properties of (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate?
(5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate has a molecular weight of 306.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methyl-4,7-dioxo-2-propan-2-ylindol-3-yl)methyl carbamate is sourced from PubChem (CID 10518718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).