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

C11H13NO3 — CID 15279

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)C2
InChIInChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyJTBBRGSSVACAJM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.73
Rot. Bonds1

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

(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate (PubChem CID 15279) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate
PubChem CID15279
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2c1OC(C)C2
InChIInChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyJTBBRGSSVACAJM-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Carbofuran
CID 2566
3-Hydroxycarbofuran
CID 27975
Furathiocarb
CID 47759
N-Nitrosocarbofuran
CID 44098
2,3-Dihydro-2,2-dimethyl-7-benzofuranyl carbamate
CID 20923
7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, N-hydroxycarbamate
CID 57803
7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)
CID 20911
Carbamic acid, methyl-, 2,3-dihydro-7-benzofuranyl ester
CID 20922
7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
CID 20925
2H-1-Benzopyran-8-ol, 3,4-dihydro-, methylcarbamate
CID 27702
Nia-11637
CID 27703
1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate
CID 31517

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate (CID 15279) is (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate is CNC(=O)Oc1cccc2c1OC(C)C2.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate?
The InChIKey is JTBBRGSSVACAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate?
(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate has a molecular weight of 207.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate is sourced from PubChem (CID 15279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).