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

C8H16N2O2 — CID 65362069

IUPAC1-(2-methoxyethyl)-1,4-diazepan-2-one
SMILESCOCCN1CCCNCC1=O
InChIInChI=1S/C8H16N2O2/c1-12-6-5-10-4-2-3-9-7-8(10)11/h9H,2-7H2,1H3
InChIKeyQNNQFWDKUBSTNM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds3

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

1-(2-methoxyethyl)-1,4-diazepan-2-one (PubChem CID 65362069) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,4-diazepan-2-one
PubChem CID65362069
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-methoxyethyl)-1,4-diazepan-2-one
SMILESCOCCN1CCCNCC1=O
InChIInChI=1S/C8H16N2O2/c1-12-6-5-10-4-2-3-9-7-8(10)11/h9H,2-7H2,1H3
InChIKeyQNNQFWDKUBSTNM-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,4-diazepan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-1,4-diazepan-2-one (CID 65362069) is 1-(2-methoxyethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-1,4-diazepan-2-one is COCCN1CCCNCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-1,4-diazepan-2-one?
The InChIKey is QNNQFWDKUBSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-6-5-10-4-2-3-9-7-8(10)11/h9H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-1,4-diazepan-2-one?
1-(2-methoxyethyl)-1,4-diazepan-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65362069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).