4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one

C11H22N2O — CID 134296447

IUPAC4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCN(C)C(=O)CC1(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13-7-6-12(5)10(14)8-11(13,3)4/h9H,6-8H2,1-5H3
InChIKeyZFNURGVUPDBZPM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds1

About 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one

4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one (PubChem CID 134296447) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one
PubChem CID134296447
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCN(C)C(=O)CC1(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)13-7-6-12(5)10(14)8-11(13,3)4/h9H,6-8H2,1-5H3
InChIKeyZFNURGVUPDBZPM-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,7,7-Tetramethyl-1,4-diazepan-5-one
CID 546910
2-(3-(dichloroamino)-N,3-dimethylbutanamido)-N,N,N-trimethylethanaminium chloride
CID 45267158
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CID 165935249
1-(3,3-Dimethylbutanoyl)-4-methyl-1,4-diazepane
CID 17164421
2-[[3-(Dichloroamino)-3-methylbutanoyl]-methylamino]ethyl-trimethylazanium
CID 45267159
3-Fluoro-1-(4,5,5-trimethyl-1,4-diazepan-1-yl)propan-1-one
CID 154766506
1-(4-Methyl-1,4-diazepan-1-yl)butan-1-one
CID 17164278
1,4,6-Trimethyl-1,4-diazepan-5-one
CID 18346774
1,4-Dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 20683173
4-Methyl-1-propan-2-yl-1,4-diazepan-5-one
CID 21132132
1-Tert-butyl-4-methyl-1,4-diazepan-5-one
CID 21132178
6-Tert-butyl-1-methyl-4-propan-2-yl-1,4-diazepan-5-one
CID 21303071

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one (CID 134296447) is 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one is CC(C)N1CCN(C)C(=O)CC1(C)C.
What is the InChIKey of 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is ZFNURGVUPDBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)13-7-6-12(5)10(14)8-11(13,3)4/h9H,6-8H2,1-5H3.
What are the key properties of 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one?
4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 198.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-1-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 134296447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).