1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one

C9H18N2O2 — CID 63258997

IUPAC1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
SMILESCOCCN1CCCNC(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8-9(12)11(6-7-13-2)5-3-4-10-8/h8,10H,3-7H2,1-2H3
InChIKeyCRUUBJHRJVLRBT-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one

1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one (PubChem CID 63258997) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
PubChem CID63258997
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
SMILESCOCCN1CCCNC(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8-9(12)11(6-7-13-2)5-3-4-10-8/h8,10H,3-7H2,1-2H3
InChIKeyCRUUBJHRJVLRBT-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one (CID 63258997) is 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one is COCCN1CCCNC(C)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one?
The InChIKey is CRUUBJHRJVLRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-9(12)11(6-7-13-2)5-3-4-10-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one?
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 63258997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).