1-benzofuran-7-yl N,N-dimethylcarbamate

C11H11NO3 — CID 134111675

IUPAC1-benzofuran-7-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ccoc12
InChIInChI=1S/C11H11NO3/c1-12(2)11(13)15-9-5-3-4-8-6-7-14-10(8)9/h3-7H,1-2H3
InChIKeyDKDMRNDZLXOMBJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.49
Rot. Bonds1

About 1-benzofuran-7-yl N,N-dimethylcarbamate

1-benzofuran-7-yl N,N-dimethylcarbamate (PubChem CID 134111675) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-benzofuran-7-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-benzofuran-7-yl N,N-dimethylcarbamate
PubChem CID134111675
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-benzofuran-7-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ccoc12
InChIInChI=1S/C11H11NO3/c1-12(2)11(13)15-9-5-3-4-8-6-7-14-10(8)9/h3-7H,1-2H3
InChIKeyDKDMRNDZLXOMBJ-UHFFFAOYSA-N
XLogP2.49
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
CID 175480089
1-benzofuran-7-yl 2-iodo-2-methylbutanoate
CID 129168422
1-benzofuran-7-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 144734107
1-benzofuran-7-yloxyboronic acid
CID 171573912
methyl 1-benzofuran-7-carboxylate;ozone
CID 161374548
1-benzofuran-7-ol;methylcarbamic acid
CID 70538977
(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685558
(2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685553
acetaldehyde;1-benzofuran-7-ol
CID 87738813
1-benzofuran-7-carbothioic S-acid
CID 174222320
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
7-prop-2-ynoxy-1-benzofuran
CID 135362386

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-7-yl N,N-dimethylcarbamate?
The IUPAC name of 1-benzofuran-7-yl N,N-dimethylcarbamate (CID 134111675) is 1-benzofuran-7-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1-benzofuran-7-yl N,N-dimethylcarbamate?
The canonical SMILES for 1-benzofuran-7-yl N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-yl N,N-dimethylcarbamate?
The InChIKey is DKDMRNDZLXOMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12(2)11(13)15-9-5-3-4-8-6-7-14-10(8)9/h3-7H,1-2H3.
What are the key properties of 1-benzofuran-7-yl N,N-dimethylcarbamate?
1-benzofuran-7-yl N,N-dimethylcarbamate has a molecular weight of 205.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-7-yl N,N-dimethylcarbamate is sourced from PubChem (CID 134111675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).