1-ethyldiazepine

C7H10N2 — CID 22068524

IUPAC1-ethyldiazepine
SMILESCCN1C=CC=CC=N1
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8-9/h3-7H,2H2,1H3
InChIKeyUIXKZIUPLWCKRF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.38
Rot. Bonds1

About 1-ethyldiazepine

1-ethyldiazepine (PubChem CID 22068524) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethyldiazepine.

Molecular Properties

Compound Name1-ethyldiazepine
PubChem CID22068524
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-ethyldiazepine
SMILESCCN1C=CC=CC=N1
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8-9/h3-7H,2H2,1H3
InChIKeyUIXKZIUPLWCKRF-UHFFFAOYSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyldiazepine?
The IUPAC name of 1-ethyldiazepine (CID 22068524) is 1-ethyldiazepine.
What is the SMILES notation for 1-ethyldiazepine?
The canonical SMILES for 1-ethyldiazepine is CCN1C=CC=CC=N1.
What is the InChIKey of 1-ethyldiazepine?
The InChIKey is UIXKZIUPLWCKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8-9/h3-7H,2H2,1H3.
What are the key properties of 1-ethyldiazepine?
1-ethyldiazepine has a molecular weight of 122.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyldiazepine is sourced from PubChem (CID 22068524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).