1-(azetidin-3-yl)-4-ethyloctan-2-one

C13H25NO — CID 116582162

IUPAC1-(azetidin-3-yl)-4-ethyloctan-2-one
SMILESCCCCC(CC)CC(=O)CC1CNC1
InChIInChI=1S/C13H25NO/c1-3-5-6-11(4-2)7-13(15)8-12-9-14-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyBJHJPGCMZPTYQJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds8

About 1-(azetidin-3-yl)-4-ethyloctan-2-one

1-(azetidin-3-yl)-4-ethyloctan-2-one (PubChem CID 116582162) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-ethyloctan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-ethyloctan-2-one
PubChem CID116582162
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(azetidin-3-yl)-4-ethyloctan-2-one
SMILESCCCCC(CC)CC(=O)CC1CNC1
InChIInChI=1S/C13H25NO/c1-3-5-6-11(4-2)7-13(15)8-12-9-14-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyBJHJPGCMZPTYQJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-ethylheptan-1-one;hydrochloride
CID 120656345
6-ethyl-2,2-dimethyldecan-4-one
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1-chloro-6-ethyldecan-4-one
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1-butan-2-ylsulfanyl-4-ethyloctan-2-one
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2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
7-ethyl-2-methylundec-1-en-5-one
CID 139807060
zinc bis(3-ethylheptanoate)
CID 159696376
sodium 5,12-diethyl-7,10-dioxohexadecane-8-sulfonate
CID 88512777
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
3-ethylheptaneperoxoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-ethyloctan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-4-ethyloctan-2-one (CID 116582162) is 1-(azetidin-3-yl)-4-ethyloctan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-4-ethyloctan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-4-ethyloctan-2-one is CCCCC(CC)CC(=O)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-ethyloctan-2-one?
The InChIKey is BJHJPGCMZPTYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-11(4-2)7-13(15)8-12-9-14-10-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-ethyloctan-2-one?
1-(azetidin-3-yl)-4-ethyloctan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-ethyloctan-2-one is sourced from PubChem (CID 116582162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).