(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C15H21NO3 — CID 101235402

IUPAC(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCCCC[C@H]1C[C@]2(C=CC(=O)C=C2C)N(OC)C1=O
InChIInChI=1S/C15H21NO3/c1-4-5-6-12-10-15(16(19-3)14(12)18)8-7-13(17)9-11(15)2/h7-9,12H,4-6,10H2,1-3H3/t12-,15-/m0/s1
InChIKeyGKZDOWRUWOZAPP-WFASDCNBSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds4

About (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101235402) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101235402
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCCCC[C@H]1C[C@]2(C=CC(=O)C=C2C)N(OC)C1=O
InChIInChI=1S/C15H21NO3/c1-4-5-6-12-10-15(16(19-3)14(12)18)8-7-13(17)9-11(15)2/h7-9,12H,4-6,10H2,1-3H3/t12-,15-/m0/s1
InChIKeyGKZDOWRUWOZAPP-WFASDCNBSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione with MolForge

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Related Compounds

1-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11298476
1-Methoxy-7-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031019
3,3-Diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 118963012
(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11425200
1-Methoxy-4,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 16115814
7-Acetyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 49818310
CID 101083639
CID 101083639
(4R,5S)-1-methoxy-4,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235398
(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235400
(4R,5R)-4-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235401
(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235403
1-Methoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102257584

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101235402) is (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CCCC[C@H]1C[C@]2(C=CC(=O)C=C2C)N(OC)C1=O.
What is the InChIKey of (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is GKZDOWRUWOZAPP-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-5-6-12-10-15(16(19-3)14(12)18)8-7-13(17)9-11(15)2/h7-9,12H,4-6,10H2,1-3H3/t12-,15-/m0/s1.
What are the key properties of (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 263.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101235402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).