2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate

C10H11NO3 — CID 20922

IUPAC2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OCC2
InChIInChI=1S/C10H11NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyKZSIVIPKLYWTDQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.34
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate

2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate (PubChem CID 20922) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate
PubChem CID20922
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OCC2
InChIInChI=1S/C10H11NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyKZSIVIPKLYWTDQ-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate (CID 20922) is 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate is CNC(=O)Oc1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate?
The InChIKey is KZSIVIPKLYWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-10(12)14-8-4-2-3-7-5-6-13-9(7)8/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate?
2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate has a molecular weight of 193.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate is sourced from PubChem (CID 20922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).