4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione

C11H13NO3 — CID 14475486

IUPAC4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
SMILESCC(C)N1C(=O)COC12C=CC(=O)C=C2
InChIInChI=1S/C11H13NO3/c1-8(2)12-10(14)7-15-11(12)5-3-9(13)4-6-11/h3-6,8H,7H2,1-2H3
InChIKeyGCNODEKFLQOBHQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.64
Rot. Bonds1

About 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione

4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione (PubChem CID 14475486) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione.

Molecular Properties

Compound Name4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
PubChem CID14475486
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
SMILESCC(C)N1C(=O)COC12C=CC(=O)C=C2
InChIInChI=1S/C11H13NO3/c1-8(2)12-10(14)7-15-11(12)5-3-9(13)4-6-11/h3-6,8H,7H2,1-2H3
InChIKeyGCNODEKFLQOBHQ-UHFFFAOYSA-N
XLogP0.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione?
The IUPAC name of 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione (CID 14475486) is 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione.
What is the SMILES notation for 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione?
The canonical SMILES for 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione is CC(C)N1C(=O)COC12C=CC(=O)C=C2.
What is the InChIKey of 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione?
The InChIKey is GCNODEKFLQOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(2)12-10(14)7-15-11(12)5-3-9(13)4-6-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione?
4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione has a molecular weight of 207.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione is sourced from PubChem (CID 14475486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).