7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione

C9H16N2O2 — CID 64882407

IUPAC7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1C(=O)CNC(=O)CC1C
InChIInChI=1S/C9H16N2O2/c1-6(2)11-7(3)4-8(12)10-5-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyBATJWIQGCIRCAS-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds1

About 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione

7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64882407) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64882407
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1C(=O)CNC(=O)CC1C
InChIInChI=1S/C9H16N2O2/c1-6(2)11-7(3)4-8(12)10-5-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyBATJWIQGCIRCAS-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
5-methyl-1-propan-2-ylimidazolidin-2-one
CID 166718631
6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
CID 64880665
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59280236
5-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 134548886
6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
CID 64971428
3-benzyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883140
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541
1-(2-butoxyethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883186
aziridin-2-one
CID 158991665

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione (CID 64882407) is 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione is CC(C)N1C(=O)CNC(=O)CC1C.
What is the InChIKey of 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is BATJWIQGCIRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)11-7(3)4-8(12)10-5-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).