9H-xanthen-9-yl N-methylcarbamate

C15H13NO3 — CID 21482819

IUPAC9H-xanthen-9-yl N-methylcarbamate
SMILESCNC(=O)OC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-16-15(17)19-14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17)
InChIKeyQGWSWIDXWJKYCU-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.24
Rot. Bonds1

About 9H-xanthen-9-yl N-methylcarbamate

9H-xanthen-9-yl N-methylcarbamate (PubChem CID 21482819) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 9H-xanthen-9-yl N-methylcarbamate.

Molecular Properties

Compound Name9H-xanthen-9-yl N-methylcarbamate
PubChem CID21482819
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name9H-xanthen-9-yl N-methylcarbamate
SMILESCNC(=O)OC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-16-15(17)19-14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17)
InChIKeyQGWSWIDXWJKYCU-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-9-yl N-methylcarbamate?
The IUPAC name of 9H-xanthen-9-yl N-methylcarbamate (CID 21482819) is 9H-xanthen-9-yl N-methylcarbamate.
What is the SMILES notation for 9H-xanthen-9-yl N-methylcarbamate?
The canonical SMILES for 9H-xanthen-9-yl N-methylcarbamate is CNC(=O)OC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthen-9-yl N-methylcarbamate?
The InChIKey is QGWSWIDXWJKYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-15(17)19-14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17).
What are the key properties of 9H-xanthen-9-yl N-methylcarbamate?
9H-xanthen-9-yl N-methylcarbamate has a molecular weight of 255.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-9-yl N-methylcarbamate is sourced from PubChem (CID 21482819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).