1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one

C7H12N2O — CID 143028406

IUPAC1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one
SMILESCN1/C=N\CCCCC1=O
InChIInChI=1S/C7H12N2O/c1-9-6-8-5-3-2-4-7(9)10/h6H,2-5H2,1H3/b8-6-
InChIKeySODZLZCRIAQYHL-VURMDHGXSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one

1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one (PubChem CID 143028406) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one
PubChem CID143028406
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one
SMILESCN1/C=N\CCCCC1=O
InChIInChI=1S/C7H12N2O/c1-9-6-8-5-3-2-4-7(9)10/h6H,2-5H2,1H3/b8-6-
InChIKeySODZLZCRIAQYHL-VURMDHGXSA-N
XLogP0.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one (CID 143028406) is 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one is CN1/C=N\CCCCC1=O.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one?
The InChIKey is SODZLZCRIAQYHL-VURMDHGXSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-6-8-5-3-2-4-7(9)10/h6H,2-5H2,1H3/b8-6-.
What are the key properties of 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one?
1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one has a molecular weight of 140.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydro-1,3-diazocin-8-one is sourced from PubChem (CID 143028406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).