3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one

C10H18N2O — CID 557465

IUPAC3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCCN1CC2CCC(CC1=O)N2C
InChIInChI=1S/C10H18N2O/c1-3-12-7-9-5-4-8(11(9)2)6-10(12)13/h8-9H,3-7H2,1-2H3
InChIKeyXECFPKLAZCAOMX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.70
Rot. Bonds1

About 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one

3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 557465) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID557465
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCCN1CC2CCC(CC1=O)N2C
InChIInChI=1S/C10H18N2O/c1-3-12-7-9-5-4-8(11(9)2)6-10(12)13/h8-9H,3-7H2,1-2H3
InChIKeyXECFPKLAZCAOMX-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 130774971
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
CID 58248210
1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one
CID 95119754
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 557465) is 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one is CCN1CC2CCC(CC1=O)N2C.
What is the InChIKey of 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is XECFPKLAZCAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12-7-9-5-4-8(11(9)2)6-10(12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one?
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 557465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).