methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate

C10H11NO3 — CID 110870856

IUPACmethyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C10H11NO3/c1-13-10(12)11-8-4-2-3-7-5-6-14-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyKEBTYIZLERIQGP-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.80
Rot. Bonds1

About methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate

methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate (PubChem CID 110870856) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate
PubChem CID110870856
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C10H11NO3/c1-13-10(12)11-8-4-2-3-7-5-6-14-9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyKEBTYIZLERIQGP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate?
The IUPAC name of methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate (CID 110870856) is methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate?
The canonical SMILES for methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate is COC(=O)Nc1cccc2c1OCC2.
What is the InChIKey of methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate?
The InChIKey is KEBTYIZLERIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)11-8-4-2-3-7-5-6-14-9(7)8/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate?
methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate has a molecular weight of 193.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,3-dihydro-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 110870856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).