(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate

C12H15NO3 — CID 21263615

IUPAC(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate
SMILESCNC(=O)OC1Oc2cccc(C)c2C1C
InChIInChI=1S/C12H15NO3/c1-7-5-4-6-9-10(7)8(2)11(15-9)16-12(14)13-3/h4-6,8,11H,1-3H3,(H,13,14)
InChIKeyHBPRUDAPGMACOA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.17
Rot. Bonds1

About (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate

(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate (PubChem CID 21263615) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate
PubChem CID21263615
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate
SMILESCNC(=O)OC1Oc2cccc(C)c2C1C
InChIInChI=1S/C12H15NO3/c1-7-5-4-6-9-10(7)8(2)11(15-9)16-12(14)13-3/h4-6,8,11H,1-3H3,(H,13,14)
InChIKeyHBPRUDAPGMACOA-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate?
The IUPAC name of (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate (CID 21263615) is (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate.
What is the SMILES notation for (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate?
The canonical SMILES for (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate is CNC(=O)OC1Oc2cccc(C)c2C1C.
What is the InChIKey of (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate?
The InChIKey is HBPRUDAPGMACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-5-4-6-9-10(7)8(2)11(15-9)16-12(14)13-3/h4-6,8,11H,1-3H3,(H,13,14).
What are the key properties of (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate?
(3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2,3-dihydro-1-benzofuran-2-yl) N-methylcarbamate is sourced from PubChem (CID 21263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).