(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione

C12H14N2O4 — CID 134954294

IUPAC(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione
SMILESCN1CC(=O)N2[C@@H](CC3=COC=C[C@H](O)[C@H]32)C1=O
InChIInChI=1S/C12H14N2O4/c1-13-5-10(16)14-8(12(13)17)4-7-6-18-3-2-9(15)11(7)14/h2-3,6,8-9,11,15H,4-5H2,1H3/t8-,9-,11-/m0/s1
InChIKeyHJSKDNHKMGTMCS-QXEWZRGKSA-N
MW250.25 g/mol
LogP-0.78
Rot. Bonds

About (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione

(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione (PubChem CID 134954294) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione.

Molecular Properties

Compound Name(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione
PubChem CID134954294
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione
SMILESCN1CC(=O)N2[C@@H](CC3=COC=C[C@H](O)[C@H]32)C1=O
InChIInChI=1S/C12H14N2O4/c1-13-5-10(16)14-8(12(13)17)4-7-6-18-3-2-9(15)11(7)14/h2-3,6,8-9,11,15H,4-5H2,1H3/t8-,9-,11-/m0/s1
InChIKeyHJSKDNHKMGTMCS-QXEWZRGKSA-N
XLogP-0.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione?
The IUPAC name of (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione (CID 134954294) is (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione.
What is the SMILES notation for (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione?
The canonical SMILES for (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione is CN1CC(=O)N2[C@@H](CC3=COC=C[C@H](O)[C@H]32)C1=O.
What is the InChIKey of (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione?
The InChIKey is HJSKDNHKMGTMCS-QXEWZRGKSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-5-10(16)14-8(12(13)17)4-7-6-18-3-2-9(15)11(7)14/h2-3,6,8-9,11,15H,4-5H2,1H3/t8-,9-,11-/m0/s1.
What are the key properties of (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione?
(1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione has a molecular weight of 250.25 g/mol, XLogP of -0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,14S)-14-hydroxy-5-methyl-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-diene-3,6-dione is sourced from PubChem (CID 134954294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).