methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate

C13H13NO4 — CID 54442774

IUPACmethyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate
SMILESCOC(=O)N(C)C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C13H13NO4/c1-14(13(17)18-2)12(16)10-5-3-4-9-8(10)6-7-11(9)15/h3-5H,6-7H2,1-2H3
InChIKeyWPHSUKBMOMOMJM-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.65
Rot. Bonds1

About methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate

methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate (PubChem CID 54442774) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate
PubChem CID54442774
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate
SMILESCOC(=O)N(C)C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C13H13NO4/c1-14(13(17)18-2)12(16)10-5-3-4-9-8(10)6-7-11(9)15/h3-5H,6-7H2,1-2H3
InChIKeyWPHSUKBMOMOMJM-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate?
The IUPAC name of methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate (CID 54442774) is methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate is COC(=O)N(C)C(=O)c1cccc2c1CCC2=O.
What is the InChIKey of methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate?
The InChIKey is WPHSUKBMOMOMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14(13(17)18-2)12(16)10-5-3-4-9-8(10)6-7-11(9)15/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate?
methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate has a molecular weight of 247.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(1-oxo-2,3-dihydroindene-4-carbonyl)carbamate is sourced from PubChem (CID 54442774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).