(2S)-2,4-dimethyl-1,4-diazepan-5-one

C7H14N2O — CID 129371681

IUPAC(2S)-2,4-dimethyl-1,4-diazepan-5-one
SMILESC[C@H]1CN(C)C(=O)CCN1
InChIInChI=1S/C7H14N2O/c1-6-5-9(2)7(10)3-4-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGMUFZZGGECBECZ-LURJTMIESA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

About (2S)-2,4-dimethyl-1,4-diazepan-5-one

(2S)-2,4-dimethyl-1,4-diazepan-5-one (PubChem CID 129371681) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1,4-diazepan-5-one
PubChem CID129371681
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2S)-2,4-dimethyl-1,4-diazepan-5-one
SMILESC[C@H]1CN(C)C(=O)CCN1
InChIInChI=1S/C7H14N2O/c1-6-5-9(2)7(10)3-4-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGMUFZZGGECBECZ-LURJTMIESA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1,4-diazepan-5-one?
The IUPAC name of (2S)-2,4-dimethyl-1,4-diazepan-5-one (CID 129371681) is (2S)-2,4-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for (2S)-2,4-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for (2S)-2,4-dimethyl-1,4-diazepan-5-one is C[C@H]1CN(C)C(=O)CCN1.
What is the InChIKey of (2S)-2,4-dimethyl-1,4-diazepan-5-one?
The InChIKey is GMUFZZGGECBECZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-5-9(2)7(10)3-4-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1,4-diazepan-5-one?
(2S)-2,4-dimethyl-1,4-diazepan-5-one has a molecular weight of 142.20 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 129371681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).