1-(2-methoxyethyl)-1,4-diazepine

C8H12N2O — CID 129103852

IUPAC1-(2-methoxyethyl)-1,4-diazepine
SMILESCOCCN1C=CC=NC=C1
InChIInChI=1S/C8H12N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h2-6H,7-8H2,1H3
InChIKeyQNUWZEQPPCOZPS-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-methoxyethyl)-1,4-diazepine

1-(2-methoxyethyl)-1,4-diazepine (PubChem CID 129103852) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,4-diazepine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,4-diazepine
PubChem CID129103852
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2-methoxyethyl)-1,4-diazepine
SMILESCOCCN1C=CC=NC=C1
InChIInChI=1S/C8H12N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h2-6H,7-8H2,1H3
InChIKeyQNUWZEQPPCOZPS-UHFFFAOYSA-N
XLogP1.00
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,4-diazepine?
The IUPAC name of 1-(2-methoxyethyl)-1,4-diazepine (CID 129103852) is 1-(2-methoxyethyl)-1,4-diazepine.
What is the SMILES notation for 1-(2-methoxyethyl)-1,4-diazepine?
The canonical SMILES for 1-(2-methoxyethyl)-1,4-diazepine is COCCN1C=CC=NC=C1.
What is the InChIKey of 1-(2-methoxyethyl)-1,4-diazepine?
The InChIKey is QNUWZEQPPCOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-1,4-diazepine?
1-(2-methoxyethyl)-1,4-diazepine has a molecular weight of 152.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,4-diazepine is sourced from PubChem (CID 129103852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).