7-(diethylamino)-6-ethylazepin-4-one

C12H18N2O — CID 121008838

IUPAC7-(diethylamino)-6-ethylazepin-4-one
SMILESCCc1cc(=O)ccnc1N(CC)CC
InChIInChI=1S/C12H18N2O/c1-4-10-9-11(15)7-8-13-12(10)14(5-2)6-3/h7-9H,4-6H2,1-3H3
InChIKeyJJMOMOJMPONUGV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.85
Rot. Bonds4

About 7-(diethylamino)-6-ethylazepin-4-one

7-(diethylamino)-6-ethylazepin-4-one (PubChem CID 121008838) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-(diethylamino)-6-ethylazepin-4-one.

Molecular Properties

Compound Name7-(diethylamino)-6-ethylazepin-4-one
PubChem CID121008838
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name7-(diethylamino)-6-ethylazepin-4-one
SMILESCCc1cc(=O)ccnc1N(CC)CC
InChIInChI=1S/C12H18N2O/c1-4-10-9-11(15)7-8-13-12(10)14(5-2)6-3/h7-9H,4-6H2,1-3H3
InChIKeyJJMOMOJMPONUGV-UHFFFAOYSA-N
XLogP1.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-6-ethylazepin-4-one?
The IUPAC name of 7-(diethylamino)-6-ethylazepin-4-one (CID 121008838) is 7-(diethylamino)-6-ethylazepin-4-one.
What is the SMILES notation for 7-(diethylamino)-6-ethylazepin-4-one?
The canonical SMILES for 7-(diethylamino)-6-ethylazepin-4-one is CCc1cc(=O)ccnc1N(CC)CC.
What is the InChIKey of 7-(diethylamino)-6-ethylazepin-4-one?
The InChIKey is JJMOMOJMPONUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-10-9-11(15)7-8-13-12(10)14(5-2)6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 7-(diethylamino)-6-ethylazepin-4-one?
7-(diethylamino)-6-ethylazepin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-6-ethylazepin-4-one is sourced from PubChem (CID 121008838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).