1-benzofuran-7-ol;methylcarbamic acid

C10H11NO4 — CID 70538977

IUPAC1-benzofuran-7-ol;methylcarbamic acid
SMILESCNC(=O)O.Oc1cccc2ccoc12
InChIInChI=1S/C8H6O2.C2H5NO2/c9-7-3-1-2-6-4-5-10-8(6)7;1-3-2(4)5/h1-5,9H;3H,1H3,(H,4,5)
InChIKeyUGGKBSGEUGTYGD-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.02
Rot. Bonds

About 1-benzofuran-7-ol;methylcarbamic acid

1-benzofuran-7-ol;methylcarbamic acid (PubChem CID 70538977) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-benzofuran-7-ol;methylcarbamic acid.

Molecular Properties

Compound Name1-benzofuran-7-ol;methylcarbamic acid
PubChem CID70538977
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-benzofuran-7-ol;methylcarbamic acid
SMILESCNC(=O)O.Oc1cccc2ccoc12
InChIInChI=1S/C8H6O2.C2H5NO2/c9-7-3-1-2-6-4-5-10-8(6)7;1-3-2(4)5/h1-5,9H;3H,1H3,(H,4,5)
InChIKeyUGGKBSGEUGTYGD-UHFFFAOYSA-N
XLogP2.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-benzofuran-7-ol;methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-7-ol;methylcarbamic acid?
The IUPAC name of 1-benzofuran-7-ol;methylcarbamic acid (CID 70538977) is 1-benzofuran-7-ol;methylcarbamic acid.
What is the SMILES notation for 1-benzofuran-7-ol;methylcarbamic acid?
The canonical SMILES for 1-benzofuran-7-ol;methylcarbamic acid is CNC(=O)O.Oc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-ol;methylcarbamic acid?
The InChIKey is UGGKBSGEUGTYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C2H5NO2/c9-7-3-1-2-6-4-5-10-8(6)7;1-3-2(4)5/h1-5,9H;3H,1H3,(H,4,5).
What are the key properties of 1-benzofuran-7-ol;methylcarbamic acid?
1-benzofuran-7-ol;methylcarbamic acid has a molecular weight of 209.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-7-ol;methylcarbamic acid is sourced from PubChem (CID 70538977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).