(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one

C8H16N2O — CID 58093300

IUPAC(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
SMILESCC[C@@H]1CN(C)C(=O)CCN1
InChIInChI=1S/C8H16N2O/c1-3-7-6-10(2)8(11)4-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXNTVMOBEPLCVQX-SSDOTTSWSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds1

About (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one

(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one (PubChem CID 58093300) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
PubChem CID58093300
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
SMILESCC[C@@H]1CN(C)C(=O)CCN1
InChIInChI=1S/C8H16N2O/c1-3-7-6-10(2)8(11)4-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXNTVMOBEPLCVQX-SSDOTTSWSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one?
The IUPAC name of (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one (CID 58093300) is (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one.
What is the SMILES notation for (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one?
The canonical SMILES for (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one is CC[C@@H]1CN(C)C(=O)CCN1.
What is the InChIKey of (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one?
The InChIKey is XNTVMOBEPLCVQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7-6-10(2)8(11)4-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one?
(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 58093300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).