ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate

C9H11NO4 — CID 13033998

IUPACethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC2C=COC2C1
InChIInChI=1S/C9H11NO4/c1-2-12-9(11)6-5-8-7(14-10-6)3-4-13-8/h3-4,7-8H,2,5H2,1H3
InChIKeyXNAGTJWQBCXSFQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.61
Rot. Bonds2

About ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate

ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate (PubChem CID 13033998) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
PubChem CID13033998
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC2C=COC2C1
InChIInChI=1S/C9H11NO4/c1-2-12-9(11)6-5-8-7(14-10-6)3-4-13-8/h3-4,7-8H,2,5H2,1H3
InChIKeyXNAGTJWQBCXSFQ-UHFFFAOYSA-N
XLogP0.61
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate?
The IUPAC name of ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate (CID 13033998) is ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate.
What is the SMILES notation for ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate?
The canonical SMILES for ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate is CCOC(=O)C1=NOC2C=COC2C1.
What is the InChIKey of ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate?
The InChIKey is XNAGTJWQBCXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-12-9(11)6-5-8-7(14-10-6)3-4-13-8/h3-4,7-8H,2,5H2,1H3.
What are the key properties of ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate?
ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate is sourced from PubChem (CID 13033998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).