(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione

C12H14N2O5 — CID 11369123

IUPAC(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1Cc3cc(=O)[nH]c(=O)n3[C@@H]2O1
InChIInChI=1S/C12H14N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h4,6,8-10H,3H2,1-2H3,(H,13,15,16)/t6-,8-,9-,10-/m1/s1
InChIKeyFZLUEKDYKCMBEX-PEBGCTIMSA-N
MW266.25 g/mol
LogP-0.49
Rot. Bonds

About (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione

(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione (PubChem CID 11369123) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione.

Molecular Properties

Compound Name(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
PubChem CID11369123
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1Cc3cc(=O)[nH]c(=O)n3[C@@H]2O1
InChIInChI=1S/C12H14N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h4,6,8-10H,3H2,1-2H3,(H,13,15,16)/t6-,8-,9-,10-/m1/s1
InChIKeyFZLUEKDYKCMBEX-PEBGCTIMSA-N
XLogP-0.49
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione with MolForge

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Related Compounds

(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 14606217
(1R,10S,11S,15R)-13,13-dimethyl-12,14,16-trioxa-8-thia-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 23259424
1-[(4R,6R,6aS)-2,2-dimethyl-6-(tritiomethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodopyrimidine-2,4-dione
CID 88883816
1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(methylamino)pyrimidine-2,4-dione
CID 70908086
12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione
CID 5251322
(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 44549704
1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(dimethylamino)pyrimidine-2,4-dione
CID 67006499
(2S,6R,7R)-7-(hydroxymethyl)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.4.0.02,6]dodec-1(12)-ene-9,11-dione
CID 44520507
1-[(1S,6S)-7-hydroxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-8-yl]pyrimidine-2,4-dione
CID 58940322
1-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
CID 25223857
1-[(3aR,4R,6R,6aR)-6-(methoxymethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(2-phenylethynyl)pyrimidine-2,4-dione
CID 11080472
1-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
CID 15693553

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione?
The IUPAC name of (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione (CID 11369123) is (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione.
What is the SMILES notation for (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione?
The canonical SMILES for (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione is CC1(C)O[C@@H]2[C@H](O1)[C@H]1Cc3cc(=O)[nH]c(=O)n3[C@@H]2O1.
What is the InChIKey of (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione?
The InChIKey is FZLUEKDYKCMBEX-PEBGCTIMSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h4,6,8-10H,3H2,1-2H3,(H,13,15,16)/t6-,8-,9-,10-/m1/s1.
What are the key properties of (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione?
(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione has a molecular weight of 266.25 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione is sourced from PubChem (CID 11369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).