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

C12H15NO3 — CID 2566

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyDUEPRVBVGDRKAG-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.12
Rot. Bonds1

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

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (PubChem CID 2566) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
PubChem CID2566
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyDUEPRVBVGDRKAG-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate (CID 2566) is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate is CNC(=O)Oc1cccc2c1OC(C)(C)C2.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
The InChIKey is DUEPRVBVGDRKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate?
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 2.12, 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) N-methylcarbamate is sourced from PubChem (CID 2566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).