4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione

C10H12N2O4 — CID 135121425

IUPAC4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione
SMILESCCC1OC(=O)C2OC(=O)C3(CCN=N3)C12
InChIInChI=1S/C10H12N2O4/c1-2-5-6-7(8(13)15-5)16-9(14)10(6)3-4-11-12-10/h5-7H,2-4H2,1H3
InChIKeyAQEKHRVLTDAFAO-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.46
Rot. Bonds1

About 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione

4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione (PubChem CID 135121425) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione.

Molecular Properties

Compound Name4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione
PubChem CID135121425
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione
SMILESCCC1OC(=O)C2OC(=O)C3(CCN=N3)C12
InChIInChI=1S/C10H12N2O4/c1-2-5-6-7(8(13)15-5)16-9(14)10(6)3-4-11-12-10/h5-7H,2-4H2,1H3
InChIKeyAQEKHRVLTDAFAO-UHFFFAOYSA-N
XLogP0.46
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione?
The IUPAC name of 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione (CID 135121425) is 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione.
What is the SMILES notation for 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione?
The canonical SMILES for 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione is CCC1OC(=O)C2OC(=O)C3(CCN=N3)C12.
What is the InChIKey of 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione?
The InChIKey is AQEKHRVLTDAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-5-6-7(8(13)15-5)16-9(14)10(6)3-4-11-12-10/h5-7H,2-4H2,1H3.
What are the key properties of 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione?
4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione has a molecular weight of 224.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-ethylspiro[3,4-dihydropyrazole-5,3'-4,6a-dihydro-3aH-furo[3,4-b]furan]-2',6'-dione is sourced from PubChem (CID 135121425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).