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

C15H26N2O3 — CID 71236093

IUPAC(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
SMILESCO[C@H]1/C=C/CCCNC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19)/b7-5+,11-9-/t12-,13+,14+/m1/s1
InChIKeySWBMVZVSKFILRM-DONYLOMUSA-N
MW282.38 g/mol
LogP1.59
Rot. Bonds1

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

(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one (PubChem CID 71236093) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one.

Molecular Properties

Compound Name(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
PubChem CID71236093
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
SMILESCO[C@H]1/C=C/CCCNC(=O)NC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19)/b7-5+,11-9-/t12-,13+,14+/m1/s1
InChIKeySWBMVZVSKFILRM-DONYLOMUSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
CID 71227690
(10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
CID 71227692
8-Hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
CID 71227693
(5E,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227696
(10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227698
8-Hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one
CID 71227701
(7E,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-3-azacyclotetradeca-7,12-dien-2-one
CID 71236051
(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1-oxa-3-azacyclotetradeca-5,10-dien-2-one
CID 71236088
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-3-azacyclotetradeca-7,12-dien-2-one
CID 71236091
(6E,8S,9S,10R,11Z)-9-hydroxy-8-methoxy-10,12-dimethyl-1-azacyclotrideca-6,11-dien-2-one
CID 71236094
(7E,9S,10S,11R)-10-hydroxy-9-methoxy-13-methyl-1,3-diazabicyclo[9.3.0]tetradeca-7,12-dien-2-one
CID 71236105
10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-3-azacyclotetradeca-7,12-dien-2-one
CID 78044088

Frequently Asked Questions

What is the IUPAC name of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
The IUPAC name of (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one (CID 71236093) is (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one.
What is the SMILES notation for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one?
The canonical SMILES for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one is CO[C@H]1/C=C/CCCNC(=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-1,3-diazacyclotetradeca-5,10-dien-2-one?
The InChIKey is SWBMVZVSKFILRM-DONYLOMUSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-9-12(2)14(18)13(20-3)7-5-4-6-8-16-15(19)17-10-11/h5,7,9,12-14,18H,4,6,8,10H2,1-3H3,(H2,16,17,19)/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-1,3-diazacyclotetradeca-5,10-dien-2-one?
(5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7R,8S,9S,10E)-8-hydroxy-9-methoxy-5,7-dimethyl-1,3-diazacyclotetradeca-5,10-dien-2-one is sourced from PubChem (CID 71236093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).