methyl N-(2-methyl-1-benzofuran-5-yl)carbamate

C11H11NO3 — CID 154667051

IUPACmethyl N-(2-methyl-1-benzofuran-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2oc(C)cc2c1
InChIInChI=1S/C11H11NO3/c1-7-5-8-6-9(12-11(13)14-2)3-4-10(8)15-7/h3-6H,1-2H3,(H,12,13)
InChIKeyRRIGTCZRXXLWAQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.92
Rot. Bonds1

About methyl N-(2-methyl-1-benzofuran-5-yl)carbamate

methyl N-(2-methyl-1-benzofuran-5-yl)carbamate (PubChem CID 154667051) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl N-(2-methyl-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyl-1-benzofuran-5-yl)carbamate
PubChem CID154667051
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl N-(2-methyl-1-benzofuran-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2oc(C)cc2c1
InChIInChI=1S/C11H11NO3/c1-7-5-8-6-9(12-11(13)14-2)3-4-10(8)15-7/h3-6H,1-2H3,(H,12,13)
InChIKeyRRIGTCZRXXLWAQ-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
CID 131905130
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
CID 72864349
4-[[amino-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]sulfonylbenzamide
CID 142011728
(2S)-2-acetamido-N-(2-methyl-1-benzofuran-5-yl)-4-methylsulfanylbutanamide
CID 131940697
N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-1-benzofuran-5-yl)carbamate?
The IUPAC name of methyl N-(2-methyl-1-benzofuran-5-yl)carbamate (CID 154667051) is methyl N-(2-methyl-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for methyl N-(2-methyl-1-benzofuran-5-yl)carbamate?
The canonical SMILES for methyl N-(2-methyl-1-benzofuran-5-yl)carbamate is COC(=O)Nc1ccc2oc(C)cc2c1.
What is the InChIKey of methyl N-(2-methyl-1-benzofuran-5-yl)carbamate?
The InChIKey is RRIGTCZRXXLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-5-8-6-9(12-11(13)14-2)3-4-10(8)15-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of methyl N-(2-methyl-1-benzofuran-5-yl)carbamate?
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate has a molecular weight of 205.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 154667051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).