7-ethyl-1,7-dihydro-1,4-diazepin-2-one

C7H10N2O — CID 142944661

IUPAC7-ethyl-1,7-dihydro-1,4-diazepin-2-one
SMILESCCC1C=CN=CC(=O)N1
InChIInChI=1S/C7H10N2O/c1-2-6-3-4-8-5-7(10)9-6/h3-6H,2H2,1H3,(H,9,10)
InChIKeyGNSKVUIXTIYHQT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.48
Rot. Bonds1

About 7-ethyl-1,7-dihydro-1,4-diazepin-2-one

7-ethyl-1,7-dihydro-1,4-diazepin-2-one (PubChem CID 142944661) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-ethyl-1,7-dihydro-1,4-diazepin-2-one.

Molecular Properties

Compound Name7-ethyl-1,7-dihydro-1,4-diazepin-2-one
PubChem CID142944661
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name7-ethyl-1,7-dihydro-1,4-diazepin-2-one
SMILESCCC1C=CN=CC(=O)N1
InChIInChI=1S/C7H10N2O/c1-2-6-3-4-8-5-7(10)9-6/h3-6H,2H2,1H3,(H,9,10)
InChIKeyGNSKVUIXTIYHQT-UHFFFAOYSA-N
XLogP0.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,7-dihydro-1,4-diazepin-2-one?
The IUPAC name of 7-ethyl-1,7-dihydro-1,4-diazepin-2-one (CID 142944661) is 7-ethyl-1,7-dihydro-1,4-diazepin-2-one.
What is the SMILES notation for 7-ethyl-1,7-dihydro-1,4-diazepin-2-one?
The canonical SMILES for 7-ethyl-1,7-dihydro-1,4-diazepin-2-one is CCC1C=CN=CC(=O)N1.
What is the InChIKey of 7-ethyl-1,7-dihydro-1,4-diazepin-2-one?
The InChIKey is GNSKVUIXTIYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-6-3-4-8-5-7(10)9-6/h3-6H,2H2,1H3,(H,9,10).
What are the key properties of 7-ethyl-1,7-dihydro-1,4-diazepin-2-one?
7-ethyl-1,7-dihydro-1,4-diazepin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,7-dihydro-1,4-diazepin-2-one is sourced from PubChem (CID 142944661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).