4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one

C11H16N2O4 — CID 101169448

IUPAC4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one
SMILESCC(=O)N1C(=O)NC2OC3CCCCC3OC21
InChIInChI=1S/C11H16N2O4/c1-6(14)13-10-9(12-11(13)15)16-7-4-2-3-5-8(7)17-10/h7-10H,2-5H2,1H3,(H,12,15)
InChIKeyLJWLFWRNLPDALA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.57
Rot. Bonds

About 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one

4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one (PubChem CID 101169448) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one.

Molecular Properties

Compound Name4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one
PubChem CID101169448
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one
SMILESCC(=O)N1C(=O)NC2OC3CCCCC3OC21
InChIInChI=1S/C11H16N2O4/c1-6(14)13-10-9(12-11(13)15)16-7-4-2-3-5-8(7)17-10/h7-10H,2-5H2,1H3,(H,12,15)
InChIKeyLJWLFWRNLPDALA-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one with MolForge

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Related Compounds

(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 712333
2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
(3aR,7aR)-3-(1-hydroxy-2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 10880685
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
CID 12710759
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
(1R,9S,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane-3,7,16,20-tetrone
CID 13402502
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 102005518

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one?
The IUPAC name of 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one (CID 101169448) is 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one.
What is the SMILES notation for 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one?
The canonical SMILES for 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one is CC(=O)N1C(=O)NC2OC3CCCCC3OC21.
What is the InChIKey of 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one?
The InChIKey is LJWLFWRNLPDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(14)13-10-9(12-11(13)15)16-7-4-2-3-5-8(7)17-10/h7-10H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one?
4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one has a molecular weight of 240.26 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one is sourced from PubChem (CID 101169448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).