2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one

C12H22N2O2 — CID 141140787

IUPAC2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one
SMILESCCC1(C)CC(=O)N=C(C)C(C)(CC)N1O
InChIInChI=1S/C12H22N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h16H,6-8H2,1-5H3
InChIKeyQOEXRRDHEBGVTO-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.41
Rot. Bonds2

About 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one

2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one (PubChem CID 141140787) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one.

Molecular Properties

Compound Name2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one
PubChem CID141140787
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one
SMILESCCC1(C)CC(=O)N=C(C)C(C)(CC)N1O
InChIInChI=1S/C12H22N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h16H,6-8H2,1-5H3
InChIKeyQOEXRRDHEBGVTO-UHFFFAOYSA-N
XLogP2.41
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22341840
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2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one
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(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole
CID 10702203
3,5-diethyl-1,3,4,5-tetramethylpiperazin-2-one
CID 22094189
1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one
CID 91126366
3-ethyl-4-hydroxy-1-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylpiperazin-2-one
CID 70644598
2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine
CID 21361389
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 70644597
CID 59919927
CID 59919927
CID 52934986
CID 52934986
4-amino-7-ethyl-7-methyl-1,4-oxazepan-5-one
CID 91192626

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one?
The IUPAC name of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one (CID 141140787) is 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one.
What is the SMILES notation for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one?
The canonical SMILES for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one is CCC1(C)CC(=O)N=C(C)C(C)(CC)N1O.
What is the InChIKey of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one?
The InChIKey is QOEXRRDHEBGVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h16H,6-8H2,1-5H3.
What are the key properties of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one?
2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one has a molecular weight of 226.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one is sourced from PubChem (CID 141140787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).