7-methyl-1-propyl-1,5-diazocan-2-one

C10H20N2O — CID 117014854

IUPAC7-methyl-1-propyl-1,5-diazocan-2-one
SMILESCCCN1CC(C)CNCCC1=O
InChIInChI=1S/C10H20N2O/c1-3-6-12-8-9(2)7-11-5-4-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyYHGIAHRDEJDSJJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds2

About 7-methyl-1-propyl-1,5-diazocan-2-one

7-methyl-1-propyl-1,5-diazocan-2-one (PubChem CID 117014854) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-methyl-1-propyl-1,5-diazocan-2-one.

Molecular Properties

Compound Name7-methyl-1-propyl-1,5-diazocan-2-one
PubChem CID117014854
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name7-methyl-1-propyl-1,5-diazocan-2-one
SMILESCCCN1CC(C)CNCCC1=O
InChIInChI=1S/C10H20N2O/c1-3-6-12-8-9(2)7-11-5-4-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyYHGIAHRDEJDSJJ-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
CID 117014863
1-butyl-6-methyl-1,4-diazepan-2-one
CID 83696938
5,6-ditert-butyl-1-propylazepan-2-one
CID 59996889
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
CID 79942296
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-ethylsulfinyl-6-methyl-1,4-diazepane
CID 130948915
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
5-amino-1-butylpiperidin-2-one
CID 64978058
4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
CID 146675344

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propyl-1,5-diazocan-2-one?
The IUPAC name of 7-methyl-1-propyl-1,5-diazocan-2-one (CID 117014854) is 7-methyl-1-propyl-1,5-diazocan-2-one.
What is the SMILES notation for 7-methyl-1-propyl-1,5-diazocan-2-one?
The canonical SMILES for 7-methyl-1-propyl-1,5-diazocan-2-one is CCCN1CC(C)CNCCC1=O.
What is the InChIKey of 7-methyl-1-propyl-1,5-diazocan-2-one?
The InChIKey is YHGIAHRDEJDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-6-12-8-9(2)7-11-5-4-10(12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 7-methyl-1-propyl-1,5-diazocan-2-one?
7-methyl-1-propyl-1,5-diazocan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propyl-1,5-diazocan-2-one is sourced from PubChem (CID 117014854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).