4-methyl-1,4-diazocan-5-one

C7H14N2O — CID 117015312

IUPAC4-methyl-1,4-diazocan-5-one
SMILESCN1CCNCCCC1=O
InChIInChI=1S/C7H14N2O/c1-9-6-5-8-4-2-3-7(9)10/h8H,2-6H2,1H3
InChIKeyBYVSADHYHRRZGR-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

About 4-methyl-1,4-diazocan-5-one

4-methyl-1,4-diazocan-5-one (PubChem CID 117015312) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methyl-1,4-diazocan-5-one.

Molecular Properties

Compound Name4-methyl-1,4-diazocan-5-one
PubChem CID117015312
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-methyl-1,4-diazocan-5-one
SMILESCN1CCNCCCC1=O
InChIInChI=1S/C7H14N2O/c1-9-6-5-8-4-2-3-7(9)10/h8H,2-6H2,1H3
InChIKeyBYVSADHYHRRZGR-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4-diazocan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1,4-diazepan-5-one;hydrochloride
CID 18506888
7-methyl-1,7-diazacyclotridecan-8-one
CID 70065452
CID 174856842
CID 174856842
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1-methylpyrrolidin-2-one;oxetane
CID 170438379
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
1-methylpiperidin-2-one;piperidin-2-one
CID 137374388
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpyrrolidin-2-one;urea
CID 141281161
4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one
CID 158110382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-diazocan-5-one?
The IUPAC name of 4-methyl-1,4-diazocan-5-one (CID 117015312) is 4-methyl-1,4-diazocan-5-one.
What is the SMILES notation for 4-methyl-1,4-diazocan-5-one?
The canonical SMILES for 4-methyl-1,4-diazocan-5-one is CN1CCNCCCC1=O.
What is the InChIKey of 4-methyl-1,4-diazocan-5-one?
The InChIKey is BYVSADHYHRRZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-6-5-8-4-2-3-7(9)10/h8H,2-6H2,1H3.
What are the key properties of 4-methyl-1,4-diazocan-5-one?
4-methyl-1,4-diazocan-5-one has a molecular weight of 142.20 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diazocan-5-one is sourced from PubChem (CID 117015312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).