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

C14H19NO3 — CID 101235403

IUPAC(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12-7-11(16)5-6-14(12)8-10(3)13(17)15(14)18-4/h5-7,9-10H,8H2,1-4H3/t10-,14-/m0/s1
InChIKeyGSHSMPRBBKTAGJ-HZMBPMFUSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds2

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

(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101235403) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101235403
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12-7-11(16)5-6-14(12)8-10(3)13(17)15(14)18-4/h5-7,9-10H,8H2,1-4H3/t10-,14-/m0/s1
InChIKeyGSHSMPRBBKTAGJ-HZMBPMFUSA-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

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
(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
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)-3-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235402

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101235403) is (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C(C)C.
What is the InChIKey of (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is GSHSMPRBBKTAGJ-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)12-7-11(16)5-6-14(12)8-10(3)13(17)15(14)18-4/h5-7,9-10H,8H2,1-4H3/t10-,14-/m0/s1.
What are the key properties of (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(3S,5R)-1-methoxy-3-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 (3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101235403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).