(2,5-dimethylfuran-3-yl) carbamate

C7H9NO3 — CID 57219503

IUPAC(2,5-dimethylfuran-3-yl) carbamate
SMILESCc1cc(OC(N)=O)c(C)o1
InChIInChI=1S/C7H9NO3/c1-4-3-6(5(2)10-4)11-7(8)9/h3H,1-2H3,(H2,8,9)
InChIKeyALDAUGWCPHDGQP-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.35
Rot. Bonds1

About (2,5-dimethylfuran-3-yl) carbamate

(2,5-dimethylfuran-3-yl) carbamate (PubChem CID 57219503) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl) carbamate.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl) carbamate
PubChem CID57219503
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2,5-dimethylfuran-3-yl) carbamate
SMILESCc1cc(OC(N)=O)c(C)o1
InChIInChI=1S/C7H9NO3/c1-4-3-6(5(2)10-4)11-7(8)9/h3H,1-2H3,(H2,8,9)
InChIKeyALDAUGWCPHDGQP-UHFFFAOYSA-N
XLogP1.35
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl) carbamate?
The IUPAC name of (2,5-dimethylfuran-3-yl) carbamate (CID 57219503) is (2,5-dimethylfuran-3-yl) carbamate.
What is the SMILES notation for (2,5-dimethylfuran-3-yl) carbamate?
The canonical SMILES for (2,5-dimethylfuran-3-yl) carbamate is Cc1cc(OC(N)=O)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl) carbamate?
The InChIKey is ALDAUGWCPHDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-3-6(5(2)10-4)11-7(8)9/h3H,1-2H3,(H2,8,9).
What are the key properties of (2,5-dimethylfuran-3-yl) carbamate?
(2,5-dimethylfuran-3-yl) carbamate has a molecular weight of 155.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl) carbamate is sourced from PubChem (CID 57219503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).