ethyl 3-carbamoylfuran-2-carboxylate

C8H9NO4 — CID 24973056

IUPACethyl 3-carbamoylfuran-2-carboxylate
SMILESCCOC(=O)c1occc1C(N)=O
InChIInChI=1S/C8H9NO4/c1-2-12-8(11)6-5(7(9)10)3-4-13-6/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyIJQTUKIIQQDTIG-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.56
Rot. Bonds3

About ethyl 3-carbamoylfuran-2-carboxylate

ethyl 3-carbamoylfuran-2-carboxylate (PubChem CID 24973056) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is ethyl 3-carbamoylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoylfuran-2-carboxylate
PubChem CID24973056
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Nameethyl 3-carbamoylfuran-2-carboxylate
SMILESCCOC(=O)c1occc1C(N)=O
InChIInChI=1S/C8H9NO4/c1-2-12-8(11)6-5(7(9)10)3-4-13-6/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyIJQTUKIIQQDTIG-UHFFFAOYSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
ethyl 2-nitrofuran-3-carboxylate
CID 133055845
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
bis(cyclopropylmethyl) furan-2,3-dicarboxylate
CID 70628396
2-(aziridine-1-carbonyl)furan-3-carboxamide
CID 130238345
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
diethyl 6-oxopyran-2,3-dicarboxylate
CID 102229708
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
ethyl 4-oxochromene-8-carboxylate
CID 19972367
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
ethyl 3-bromo-5-hydroxy-4-oxopyran-2-carboxylate
CID 46948718
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoylfuran-2-carboxylate?
The IUPAC name of ethyl 3-carbamoylfuran-2-carboxylate (CID 24973056) is ethyl 3-carbamoylfuran-2-carboxylate.
What is the SMILES notation for ethyl 3-carbamoylfuran-2-carboxylate?
The canonical SMILES for ethyl 3-carbamoylfuran-2-carboxylate is CCOC(=O)c1occc1C(N)=O.
What is the InChIKey of ethyl 3-carbamoylfuran-2-carboxylate?
The InChIKey is IJQTUKIIQQDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-12-8(11)6-5(7(9)10)3-4-13-6/h3-4H,2H2,1H3,(H2,9,10).
What are the key properties of ethyl 3-carbamoylfuran-2-carboxylate?
ethyl 3-carbamoylfuran-2-carboxylate has a molecular weight of 183.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoylfuran-2-carboxylate is sourced from PubChem (CID 24973056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).