3,7-dimethyl-1,4-diazepan-5-one

C7H14N2O — CID 55287243

IUPAC3,7-dimethyl-1,4-diazepan-5-one
SMILESCC1CC(=O)NC(C)CN1
InChIInChI=1S/C7H14N2O/c1-5-3-7(10)9-6(2)4-8-5/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyQWMBDSGOVKTPEX-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.13
Rot. Bonds

About 3,7-dimethyl-1,4-diazepan-5-one

3,7-dimethyl-1,4-diazepan-5-one (PubChem CID 55287243) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,7-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name3,7-dimethyl-1,4-diazepan-5-one
PubChem CID55287243
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3,7-dimethyl-1,4-diazepan-5-one
SMILESCC1CC(=O)NC(C)CN1
InChIInChI=1S/C7H14N2O/c1-5-3-7(10)9-6(2)4-8-5/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyQWMBDSGOVKTPEX-UHFFFAOYSA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,6-dimethylpiperazin-2-one;hydrochloride
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2,5-dimethylpiperazine;methanethiol
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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 3,7-dimethyl-1,4-diazepan-5-one (CID 55287243) is 3,7-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 3,7-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 3,7-dimethyl-1,4-diazepan-5-one is CC1CC(=O)NC(C)CN1.
What is the InChIKey of 3,7-dimethyl-1,4-diazepan-5-one?
The InChIKey is QWMBDSGOVKTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-3-7(10)9-6(2)4-8-5/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3,7-dimethyl-1,4-diazepan-5-one?
3,7-dimethyl-1,4-diazepan-5-one has a molecular weight of 142.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 55287243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).