3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C14H19NO3 — CID 118963012

IUPAC3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCCC1(CC)CC2(C=CC(=O)C=C2)N(OC)C1=O
InChIInChI=1S/C14H19NO3/c1-4-13(5-2)10-14(15(18-3)12(13)17)8-6-11(16)7-9-14/h6-9H,4-5,10H2,1-3H3
InChIKeyAWVBSLSQJQTNOY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.02
Rot. Bonds3

About 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 118963012) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID118963012
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCCC1(CC)CC2(C=CC(=O)C=C2)N(OC)C1=O
InChIInChI=1S/C14H19NO3/c1-4-13(5-2)10-14(15(18-3)12(13)17)8-6-11(16)7-9-14/h6-9H,4-5,10H2,1-3H3
InChIKeyAWVBSLSQJQTNOY-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 118963012) is 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CCC1(CC)CC2(C=CC(=O)C=C2)N(OC)C1=O.
What is the InChIKey of 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is AWVBSLSQJQTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-13(5-2)10-14(15(18-3)12(13)17)8-6-11(16)7-9-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 249.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 118963012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).