methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate

C9H13NO3 — CID 56765532

IUPACmethyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C9H13NO3/c1-6-4-8(7(2)13-6)5-10-9(11)12-3/h4H,5H2,1-3H3,(H,10,11)
InChIKeyYMRSVMIKXPGRKZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.75
Rot. Bonds2

About methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate

methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate (PubChem CID 56765532) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate
PubChem CID56765532
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C9H13NO3/c1-6-4-8(7(2)13-6)5-10-9(11)12-3/h4H,5H2,1-3H3,(H,10,11)
InChIKeyYMRSVMIKXPGRKZ-UHFFFAOYSA-N
XLogP1.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate (CID 56765532) is methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate is COC(=O)NCc1cc(C)oc1C.
What is the InChIKey of methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate?
The InChIKey is YMRSVMIKXPGRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-4-8(7(2)13-6)5-10-9(11)12-3/h4H,5H2,1-3H3,(H,10,11).
What are the key properties of methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate?
methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,5-dimethylfuran-3-yl)methyl]carbamate is sourced from PubChem (CID 56765532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).