ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one

C8H16N2O — CID 142224289

IUPACethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one
SMILESCC.CN1C=NCCCC1=O
InChIInChI=1S/C6H10N2O.C2H6/c1-8-5-7-4-2-3-6(8)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyLJKPJDSLAJFWHN-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.29
Rot. Bonds

About ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one

ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one (PubChem CID 142224289) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one.

Molecular Properties

Compound Nameethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one
PubChem CID142224289
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one
SMILESCC.CN1C=NCCCC1=O
InChIInChI=1S/C6H10N2O.C2H6/c1-8-5-7-4-2-3-6(8)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyLJKPJDSLAJFWHN-UHFFFAOYSA-N
XLogP1.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one?
The IUPAC name of ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one (CID 142224289) is ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one.
What is the SMILES notation for ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one?
The canonical SMILES for ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one is CC.CN1C=NCCCC1=O.
What is the InChIKey of ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one?
The InChIKey is LJKPJDSLAJFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-8-5-7-4-2-3-6(8)9;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one?
ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one has a molecular weight of 156.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one is sourced from PubChem (CID 142224289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).