6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one

C10H18N2O — CID 70667218

IUPAC6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)CN(C)C1
InChIInChI=1S/C10H18N2O/c1-4-8-6-12(3)7-10(13)11-9(8)5-2/h4-7H2,1-3H3,(H,11,13)
InChIKeyQHNRSFCMKSXBHK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds2

About 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one

6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one (PubChem CID 70667218) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one.

Molecular Properties

Compound Name6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
PubChem CID70667218
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)CN(C)C1
InChIInChI=1S/C10H18N2O/c1-4-8-6-12(3)7-10(13)11-9(8)5-2/h4-7H2,1-3H3,(H,11,13)
InChIKeyQHNRSFCMKSXBHK-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The IUPAC name of 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one (CID 70667218) is 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one.
What is the SMILES notation for 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The canonical SMILES for 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one is CCC1=C(CC)NC(=O)CN(C)C1.
What is the InChIKey of 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The InChIKey is QHNRSFCMKSXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-8-6-12(3)7-10(13)11-9(8)5-2/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one is sourced from PubChem (CID 70667218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).