ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate

C9H12N2O3 — CID 11845785

IUPACethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
InChIKeyOXKHHZJNEHYAPB-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds2

About ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate

ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (PubChem CID 11845785) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
PubChem CID11845785
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
InChIKeyOXKHHZJNEHYAPB-UHFFFAOYSA-N
XLogP0.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (CID 11845785) is ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCOC2.
What is the InChIKey of ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is OXKHHZJNEHYAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 11845785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).