2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde

C11H12N2O4 — CID 82375658

IUPAC2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde
SMILESO=Cc1occ2c1NC(=O)C1(CCOCC1)N2
InChIInChI=1S/C11H12N2O4/c14-5-8-9-7(6-17-8)13-11(10(15)12-9)1-3-16-4-2-11/h5-6,13H,1-4H2,(H,12,15)
InChIKeyNKHDUPZGZCRDIU-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.01
Rot. Bonds1

About 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde

2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde (PubChem CID 82375658) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde.

Molecular Properties

Compound Name2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde
PubChem CID82375658
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde
SMILESO=Cc1occ2c1NC(=O)C1(CCOCC1)N2
InChIInChI=1S/C11H12N2O4/c14-5-8-9-7(6-17-8)13-11(10(15)12-9)1-3-16-4-2-11/h5-6,13H,1-4H2,(H,12,15)
InChIKeyNKHDUPZGZCRDIU-UHFFFAOYSA-N
XLogP1.01
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
2-oxospiro[4,6-dihydro-1H-pyrrolo[3,4-b]pyrazine-3,4'-thiane]-7-carbaldehyde
CID 82375718
6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
CID 82375769
7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
CID 115293397
spiro[1,4-dihydrofuro[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
CID 82375673
7-fluorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 79295412
(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 98041414
2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 82997968
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid
CID 82376398

Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde?
The IUPAC name of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde (CID 82375658) is 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde.
What is the SMILES notation for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde?
The canonical SMILES for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde is O=Cc1occ2c1NC(=O)C1(CCOCC1)N2.
What is the InChIKey of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde?
The InChIKey is NKHDUPZGZCRDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-5-8-9-7(6-17-8)13-11(10(15)12-9)1-3-16-4-2-11/h5-6,13H,1-4H2,(H,12,15).
What are the key properties of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde?
2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde has a molecular weight of 236.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde is sourced from PubChem (CID 82375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).