7-(diethylamino)-2,5-dimethylazepin-4-one

C12H18N2O — CID 135083250

IUPAC7-(diethylamino)-2,5-dimethylazepin-4-one
SMILESCCN(CC)c1cc(C)c(=O)cc(C)n1
InChIInChI=1S/C12H18N2O/c1-5-14(6-2)12-7-9(3)11(15)8-10(4)13-12/h7-8H,5-6H2,1-4H3
InChIKeyHBVIANOKOFXOSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds3

About 7-(diethylamino)-2,5-dimethylazepin-4-one

7-(diethylamino)-2,5-dimethylazepin-4-one (PubChem CID 135083250) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-(diethylamino)-2,5-dimethylazepin-4-one.

Molecular Properties

Compound Name7-(diethylamino)-2,5-dimethylazepin-4-one
PubChem CID135083250
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name7-(diethylamino)-2,5-dimethylazepin-4-one
SMILESCCN(CC)c1cc(C)c(=O)cc(C)n1
InChIInChI=1S/C12H18N2O/c1-5-14(6-2)12-7-9(3)11(15)8-10(4)13-12/h7-8H,5-6H2,1-4H3
InChIKeyHBVIANOKOFXOSX-UHFFFAOYSA-N
XLogP1.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2,5-dimethylazepin-4-one?
The IUPAC name of 7-(diethylamino)-2,5-dimethylazepin-4-one (CID 135083250) is 7-(diethylamino)-2,5-dimethylazepin-4-one.
What is the SMILES notation for 7-(diethylamino)-2,5-dimethylazepin-4-one?
The canonical SMILES for 7-(diethylamino)-2,5-dimethylazepin-4-one is CCN(CC)c1cc(C)c(=O)cc(C)n1.
What is the InChIKey of 7-(diethylamino)-2,5-dimethylazepin-4-one?
The InChIKey is HBVIANOKOFXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-14(6-2)12-7-9(3)11(15)8-10(4)13-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-2,5-dimethylazepin-4-one?
7-(diethylamino)-2,5-dimethylazepin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2,5-dimethylazepin-4-one is sourced from PubChem (CID 135083250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).