(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione

C14H22N2O3 — CID 89433162

IUPAC(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
SMILESCC(C)[C@H]1/C=C/C(=O)NCCO/C=C/[C@H](C)C(=O)N1
InChIInChI=1S/C14H22N2O3/c1-10(2)12-4-5-13(17)15-7-9-19-8-6-11(3)14(18)16-12/h4-6,8,10-12H,7,9H2,1-3H3,(H,15,17)(H,16,18)/b5-4+,8-6+/t11-,12+/m0/s1
InChIKeySWHPEFDPWLKGFA-RAGWDSSSSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds1

About (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione

(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione (PubChem CID 89433162) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione.

Molecular Properties

Compound Name(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
PubChem CID89433162
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
SMILESCC(C)[C@H]1/C=C/C(=O)NCCO/C=C/[C@H](C)C(=O)N1
InChIInChI=1S/C14H22N2O3/c1-10(2)12-4-5-13(17)15-7-9-19-8-6-11(3)14(18)16-12/h4-6,8,10-12H,7,9H2,1-3H3,(H,15,17)(H,16,18)/b5-4+,8-6+/t11-,12+/m0/s1
InChIKeySWHPEFDPWLKGFA-RAGWDSSSSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The IUPAC name of (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione (CID 89433162) is (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione.
What is the SMILES notation for (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The canonical SMILES for (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione is CC(C)[C@H]1/C=C/C(=O)NCCO/C=C/[C@H](C)C(=O)N1.
What is the InChIKey of (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The InChIKey is SWHPEFDPWLKGFA-RAGWDSSSSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)12-4-5-13(17)15-7-9-19-8-6-11(3)14(18)16-12/h4-6,8,10-12H,7,9H2,1-3H3,(H,15,17)(H,16,18)/b5-4+,8-6+/t11-,12+/m0/s1.
What are the key properties of (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
(6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione has a molecular weight of 266.34 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8S,11S,12E)-11-methyl-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione is sourced from PubChem (CID 89433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).