(3-oxo-1-benzofuran-5-yl) N-methylcarbamate

C10H9NO4 — CID 57443592

IUPAC(3-oxo-1-benzofuran-5-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C10H9NO4/c1-11-10(13)15-6-2-3-9-7(4-6)8(12)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChIKeyIOBFPBNCJDFFTF-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.98
Rot. Bonds1

About (3-oxo-1-benzofuran-5-yl) N-methylcarbamate

(3-oxo-1-benzofuran-5-yl) N-methylcarbamate (PubChem CID 57443592) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (3-oxo-1-benzofuran-5-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-oxo-1-benzofuran-5-yl) N-methylcarbamate
PubChem CID57443592
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(3-oxo-1-benzofuran-5-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C10H9NO4/c1-11-10(13)15-6-2-3-9-7(4-6)8(12)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChIKeyIOBFPBNCJDFFTF-UHFFFAOYSA-N
XLogP0.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ketocarbofuran
CID 27999
2-oxo-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl N-methylcarbamate
CID 3833892
[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] undec-10-enoate
CID 54580090
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] undec-10-enoate
CID 54580327
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] (10E,12Z)-octadeca-10,12-dienoate
CID 54584054
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] (Z)-octadec-9-enoate
CID 54585006
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] octadecanoate
CID 54585967
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-yl] hexadecanoate
CID 54586214
(2Z)-5-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 129396693
[2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 3825763
(2,2-dimethyl-3-oxo-1-benzofuran-6-yl) N-methylcarbamate
CID 57156705
2-Fluoro-5-methoxy-1-benzofuran-3-one
CID 132251640

Frequently Asked Questions

What is the IUPAC name of (3-oxo-1-benzofuran-5-yl) N-methylcarbamate?
The IUPAC name of (3-oxo-1-benzofuran-5-yl) N-methylcarbamate (CID 57443592) is (3-oxo-1-benzofuran-5-yl) N-methylcarbamate.
What is the SMILES notation for (3-oxo-1-benzofuran-5-yl) N-methylcarbamate?
The canonical SMILES for (3-oxo-1-benzofuran-5-yl) N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)C(=O)CO2.
What is the InChIKey of (3-oxo-1-benzofuran-5-yl) N-methylcarbamate?
The InChIKey is IOBFPBNCJDFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-11-10(13)15-6-2-3-9-7(4-6)8(12)5-14-9/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of (3-oxo-1-benzofuran-5-yl) N-methylcarbamate?
(3-oxo-1-benzofuran-5-yl) N-methylcarbamate has a molecular weight of 207.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1-benzofuran-5-yl) N-methylcarbamate is sourced from PubChem (CID 57443592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).