(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione

C10H14N6O4 — CID 95987832

IUPAC(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESCC(=O)N1[C@@H]2NC(=O)N[C@@H]2N(C(C)=O)[C@H]2NC(=O)N[C@@H]21
InChIInChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20)/t5-,6-,7-,8+/m1/s1
InChIKeyICTSIWFUTMWKPE-XUTVFYLZSA-N
MW282.26 g/mol
LogP-2.37
Rot. Bonds

About (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione

(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione (PubChem CID 95987832) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione.

Molecular Properties

Compound Name(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
PubChem CID95987832
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESCC(=O)N1[C@@H]2NC(=O)N[C@@H]2N(C(C)=O)[C@H]2NC(=O)N[C@@H]21
InChIInChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20)/t5-,6-,7-,8+/m1/s1
InChIKeyICTSIWFUTMWKPE-XUTVFYLZSA-N
XLogP-2.37
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 56690032
(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 712333
1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 14248785
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
1,3,3a,4,6,6a-hexahydro(213C)imidazolo[4,5-d](213C)imidazole-2,5-dione
CID 23626358
1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone
CID 99991019
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)butanoic acid
CID 5083034
(3aR,6aS)-4-ethyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 702901
2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetate
CID 7071327
2-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetate
CID 7071328

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The IUPAC name of (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione (CID 95987832) is (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione.
What is the SMILES notation for (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The canonical SMILES for (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is CC(=O)N1[C@@H]2NC(=O)N[C@@H]2N(C(C)=O)[C@H]2NC(=O)N[C@@H]21.
What is the InChIKey of (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The InChIKey is ICTSIWFUTMWKPE-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione has a molecular weight of 282.26 g/mol, XLogP of -2.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is sourced from PubChem (CID 95987832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).