6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one

C13H24N2O — CID 70667282

IUPAC6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)CN(CC(C)C)C1
InChIInChI=1S/C13H24N2O/c1-5-11-8-15(7-10(3)4)9-13(16)14-12(11)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyFODJTNZPRNGEBE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.15
Rot. Bonds4

About 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one

6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one (PubChem CID 70667282) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one.

Molecular Properties

Compound Name6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one
PubChem CID70667282
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)CN(CC(C)C)C1
InChIInChI=1S/C13H24N2O/c1-5-11-8-15(7-10(3)4)9-13(16)14-12(11)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyFODJTNZPRNGEBE-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.15
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-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one?
The IUPAC name of 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one (CID 70667282) is 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one.
What is the SMILES notation for 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one?
The canonical SMILES for 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one is CCC1=C(CC)NC(=O)CN(CC(C)C)C1.
What is the InChIKey of 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one?
The InChIKey is FODJTNZPRNGEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-11-8-15(7-10(3)4)9-13(16)14-12(11)6-2/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one?
6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-4-(2-methylpropyl)-3,5-dihydro-1H-1,4-diazepin-2-one is sourced from PubChem (CID 70667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).