(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C14H19NO3 — CID 11425200

IUPAC(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)C[C@@H](C)[C@@]12C=CC(=O)C=C2C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12-8-11(16)5-6-14(12)10(3)7-13(17)15(14)18-4/h5-6,8-10H,7H2,1-4H3/t10-,14-/m1/s1
InChIKeyJFECZBYRMKUBKJ-QMTHXVAHSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds2

About (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 11425200) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID11425200
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)C[C@@H](C)[C@@]12C=CC(=O)C=C2C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12-8-11(16)5-6-14(12)10(3)7-13(17)15(14)18-4/h5-6,8-10H,7H2,1-4H3/t10-,14-/m1/s1
InChIKeyJFECZBYRMKUBKJ-QMTHXVAHSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 101235410
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
(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
CID 11447683
1-Methoxy-4,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 16115814
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)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235402
(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 (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 11425200) is (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CON1C(=O)C[C@@H](C)[C@@]12C=CC(=O)C=C2C(C)C.
What is the InChIKey of (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is JFECZBYRMKUBKJ-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)12-8-11(16)5-6-14(12)10(3)7-13(17)15(14)18-4/h5-6,8-10H,7H2,1-4H3/t10-,14-/m1/s1.
What are the key properties of (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 249.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 11425200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).