(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one

C15H25NO4 — CID 71236088

IUPAC(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
SMILESCO[C@H]1/C=C/CCCOC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C15H25NO4/c1-11-9-12(2)14(17)13(19-3)7-5-4-6-8-20-15(18)16-10-11/h5,7,9,12-14,17H,4,6,8,10H2,1-3H3,(H,16,18)/b7-5+,11-9-/t12-,13+,14+/m1/s1
InChIKeyQMQWVOBGLBNUGD-DONYLOMUSA-N
MW283.37 g/mol
LogP2.02
Rot. Bonds1

About (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one

(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one (PubChem CID 71236088) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one.

Molecular Properties

Compound Name(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
PubChem CID71236088
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
SMILESCO[C@H]1/C=C/CCCOC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C15H25NO4/c1-11-9-12(2)14(17)13(19-3)7-5-4-6-8-20-15(18)16-10-11/h5,7,9,12-14,17H,4,6,8,10H2,1-3H3,(H,16,18)/b7-5+,11-9-/t12-,13+,14+/m1/s1
InChIKeyQMQWVOBGLBNUGD-DONYLOMUSA-N
XLogP2.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The IUPAC name of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one (CID 71236088) is (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one.
What is the SMILES notation for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The canonical SMILES for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one is CO[C@H]1/C=C/CCCOC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O.
What is the InChIKey of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
The InChIKey is QMQWVOBGLBNUGD-DONYLOMUSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-9-12(2)14(17)13(19-3)7-5-4-6-8-20-15(18)16-10-11/h5,7,9,12-14,17H,4,6,8,10H2,1-3H3,(H,16,18)/b7-5+,11-9-/t12-,13+,14+/m1/s1.
What are the key properties of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one?
(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one has a molecular weight of 283.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one is sourced from PubChem (CID 71236088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).