2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

C16H26N2O3 — CID 83036096

IUPAC2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCC1(C)CC(N2CCC(=O)N3CCCCC3C2=O)CCO1
InChIInChI=1S/C16H26N2O3/c1-16(2)11-12(7-10-21-16)17-9-6-14(19)18-8-4-3-5-13(18)15(17)20/h12-13H,3-11H2,1-2H3
InChIKeySEZSXPSXKFDFJG-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.56
Rot. Bonds1

About 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (PubChem CID 83036096) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
PubChem CID83036096
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCC1(C)CC(N2CCC(=O)N3CCCCC3C2=O)CCO1
InChIInChI=1S/C16H26N2O3/c1-16(2)11-12(7-10-21-16)17-9-6-14(19)18-8-4-3-5-13(18)15(17)20/h12-13H,3-11H2,1-2H3
InChIKeySEZSXPSXKFDFJG-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (CID 83036096) is 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is CC1(C)CC(N2CCC(=O)N3CCCCC3C2=O)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The InChIKey is SEZSXPSXKFDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2)11-12(7-10-21-16)17-9-6-14(19)18-8-4-3-5-13(18)15(17)20/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is sourced from PubChem (CID 83036096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).