(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate

C11H13NO3 — CID 20923

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate
SMILESCC1(C)Cc2cccc(OC(N)=O)c2O1
InChIInChI=1S/C11H13NO3/c1-11(2)6-7-4-3-5-8(9(7)15-11)14-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyQTBBEJJXBYGFAP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.86
Rot. Bonds1

About (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate

(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate (PubChem CID 20923) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate
PubChem CID20923
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate
SMILESCC1(C)Cc2cccc(OC(N)=O)c2O1
InChIInChI=1S/C11H13NO3/c1-11(2)6-7-4-3-5-8(9(7)15-11)14-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyQTBBEJJXBYGFAP-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate 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 (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate (CID 20923) is (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate is CC1(C)Cc2cccc(OC(N)=O)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate?
The InChIKey is QTBBEJJXBYGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(2)6-7-4-3-5-8(9(7)15-11)14-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate?
(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate is sourced from PubChem (CID 20923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).