(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione

C14H15NO5 — CID 162967352

IUPAC(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione
SMILESC=C1C(=O)[C@@]2(C(=O)N1OC)[C@H](/C=C/C)C=CC(=O)[C@@H]2O
InChIInChI=1S/C14H15NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h4-7,9,12,18H,2H2,1,3H3/b5-4+/t9-,12+,14+/m1/s1
InChIKeyQTOYKROMBAULCV-KANDOSDCSA-N
MW277.28 g/mol
LogP0.15
Rot. Bonds2

About (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione

(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione (PubChem CID 162967352) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione.

Molecular Properties

Compound Name(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione
PubChem CID162967352
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione
SMILESC=C1C(=O)[C@@]2(C(=O)N1OC)[C@H](/C=C/C)C=CC(=O)[C@@H]2O
InChIInChI=1S/C14H15NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h4-7,9,12,18H,2H2,1,3H3/b5-4+/t9-,12+,14+/m1/s1
InChIKeyQTOYKROMBAULCV-KANDOSDCSA-N
XLogP0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione?
The IUPAC name of (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione (CID 162967352) is (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione.
What is the SMILES notation for (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione?
The canonical SMILES for (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione is C=C1C(=O)[C@@]2(C(=O)N1OC)[C@H](/C=C/C)C=CC(=O)[C@@H]2O.
What is the InChIKey of (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione?
The InChIKey is QTOYKROMBAULCV-KANDOSDCSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h4-7,9,12,18H,2H2,1,3H3/b5-4+/t9-,12+,14+/m1/s1.
What are the key properties of (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione?
(5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione has a molecular weight of 277.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,10R)-6-hydroxy-2-methoxy-3-methylidene-10-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-8-ene-1,4,7-trione is sourced from PubChem (CID 162967352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).