methyl N-(9H-xanthen-9-yl)carbamate

C15H13NO3 — CID 602501

IUPACmethyl N-(9H-xanthen-9-yl)carbamate
SMILESCOC(=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-18-15(17)16-14-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17)
InChIKeyAZMZKEHBXXPWPW-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.24
Rot. Bonds1

About methyl N-(9H-xanthen-9-yl)carbamate

methyl N-(9H-xanthen-9-yl)carbamate (PubChem CID 602501) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl N-(9H-xanthen-9-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(9H-xanthen-9-yl)carbamate
PubChem CID602501
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl N-(9H-xanthen-9-yl)carbamate
SMILESCOC(=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-18-15(17)16-14-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17)
InChIKeyAZMZKEHBXXPWPW-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 methyl N-(9H-xanthen-9-yl)carbamate?
The IUPAC name of methyl N-(9H-xanthen-9-yl)carbamate (CID 602501) is methyl N-(9H-xanthen-9-yl)carbamate.
What is the SMILES notation for methyl N-(9H-xanthen-9-yl)carbamate?
The canonical SMILES for methyl N-(9H-xanthen-9-yl)carbamate is COC(=O)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of methyl N-(9H-xanthen-9-yl)carbamate?
The InChIKey is AZMZKEHBXXPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-15(17)16-14-10-6-2-4-8-12(10)19-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17).
What are the key properties of methyl N-(9H-xanthen-9-yl)carbamate?
methyl N-(9H-xanthen-9-yl)carbamate 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 methyl N-(9H-xanthen-9-yl)carbamate is sourced from PubChem (CID 602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).