ethane;3-methyl-1,3,8-oxadiazecan-2-one

C10H22N2O2 — CID 142445079

IUPACethane;3-methyl-1,3,8-oxadiazecan-2-one
SMILESCC.CN1CCCCNCCOC1=O
InChIInChI=1S/C8H16N2O2.C2H6/c1-10-6-3-2-4-9-5-7-12-8(10)11;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyKJVZRWCKSUZUPS-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.46
Rot. Bonds

About ethane;3-methyl-1,3,8-oxadiazecan-2-one

ethane;3-methyl-1,3,8-oxadiazecan-2-one (PubChem CID 142445079) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;3-methyl-1,3,8-oxadiazecan-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3,8-oxadiazecan-2-one
PubChem CID142445079
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;3-methyl-1,3,8-oxadiazecan-2-one
SMILESCC.CN1CCCCNCCOC1=O
InChIInChI=1S/C8H16N2O2.C2H6/c1-10-6-3-2-4-9-5-7-12-8(10)11;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyKJVZRWCKSUZUPS-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-methyl-1,7-diazacyclotridecan-8-one
CID 70065452
1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methylazepane;1-methyl-1,3-diazinan-2-one;4-methylmorpholin-3-one;3-methyl-1,3-oxazinan-2-one;1-methylpiperazine
CID 161122214
3-methyl-1,3-oxazinan-2-one;toluene
CID 161105180
ethane;pyrrolidine;hydrofluoride
CID 143607064
1,6-dimethyl-1,6,11,16-tetrazacycloicosane
CID 22113785
1-methyl-1,6,11,16-tetrazacycloicosane
CID 22113601
4-methyl-1,4-diazocan-5-one
CID 117015312
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
1-butyl-1,3-diazepan-2-one
CID 150099536
4-methyl-1,4-diazepan-5-one;hydrochloride
CID 18506888
cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine
CID 158382531

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3,8-oxadiazecan-2-one?
The IUPAC name of ethane;3-methyl-1,3,8-oxadiazecan-2-one (CID 142445079) is ethane;3-methyl-1,3,8-oxadiazecan-2-one.
What is the SMILES notation for ethane;3-methyl-1,3,8-oxadiazecan-2-one?
The canonical SMILES for ethane;3-methyl-1,3,8-oxadiazecan-2-one is CC.CN1CCCCNCCOC1=O.
What is the InChIKey of ethane;3-methyl-1,3,8-oxadiazecan-2-one?
The InChIKey is KJVZRWCKSUZUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-10-6-3-2-4-9-5-7-12-8(10)11;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3,8-oxadiazecan-2-one?
ethane;3-methyl-1,3,8-oxadiazecan-2-one has a molecular weight of 202.30 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3,8-oxadiazecan-2-one is sourced from PubChem (CID 142445079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).