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

C7H14N2O — CID 129371680

IUPAC(2R)-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-/m1/s1
InChIKeyGMUFZZGGECBECZ-ZCFIWIBFSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

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

(2R)-2,4-dimethyl-1,4-diazepan-5-one (PubChem CID 129371680) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-1,4-diazepan-5-one
PubChem CID129371680
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2R)-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-/m1/s1
InChIKeyGMUFZZGGECBECZ-ZCFIWIBFSA-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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Related Compounds

(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
CID 58093300
4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
CID 146675344
4-methyl-1,4-diazepan-5-one;hydrochloride
CID 18506888
5-amino-1-methylpiperidin-2-one;hydrochloride
CID 67228252
5-amino-1-methylpiperidin-2-one;methane
CID 178188727
1-methyl-5-(pyrrolidin-3-ylamino)piperidin-2-one
CID 79742153
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
(2R)-2-methylpyrrolidin-3-one
CID 67533631
3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 131697768

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-1,4-diazepan-5-one?
The IUPAC name of (2R)-2,4-dimethyl-1,4-diazepan-5-one (CID 129371680) is (2R)-2,4-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for (2R)-2,4-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for (2R)-2,4-dimethyl-1,4-diazepan-5-one is C[C@@H]1CN(C)C(=O)CCN1.
What is the InChIKey of (2R)-2,4-dimethyl-1,4-diazepan-5-one?
The InChIKey is GMUFZZGGECBECZ-ZCFIWIBFSA-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-/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-1,4-diazepan-5-one?
(2R)-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 (2R)-2,4-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 129371680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).