1-benzofuran-7-yl N-methylcarbamate

C10H9NO3 — CID 20921

IUPAC1-benzofuran-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccoc12
InChIInChI=1S/C10H9NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyLVKKPBPHGILWOM-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.15
Rot. Bonds1

About 1-benzofuran-7-yl N-methylcarbamate

1-benzofuran-7-yl N-methylcarbamate (PubChem CID 20921) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-benzofuran-7-yl N-methylcarbamate.

Molecular Properties

Compound Name1-benzofuran-7-yl N-methylcarbamate
PubChem CID20921
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-benzofuran-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccoc12
InChIInChI=1S/C10H9NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3,(H,11,12)
InChIKeyLVKKPBPHGILWOM-UHFFFAOYSA-N
XLogP2.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-7-yl N-methylcarbamate?
The IUPAC name of 1-benzofuran-7-yl N-methylcarbamate (CID 20921) is 1-benzofuran-7-yl N-methylcarbamate.
What is the SMILES notation for 1-benzofuran-7-yl N-methylcarbamate?
The canonical SMILES for 1-benzofuran-7-yl N-methylcarbamate is CNC(=O)Oc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-yl N-methylcarbamate?
The InChIKey is LVKKPBPHGILWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-6H,1H3,(H,11,12).
What are the key properties of 1-benzofuran-7-yl N-methylcarbamate?
1-benzofuran-7-yl N-methylcarbamate has a molecular weight of 191.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-7-yl N-methylcarbamate is sourced from PubChem (CID 20921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).