1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one

C13H25NO2 — CID 116579447

IUPAC1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)C1(N)CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-12(15)13(14)7-8-16-10-13/h11H,3-10,14H2,1-2H3
InChIKeyULPLYROKAUJLPP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.28
Rot. Bonds7

About 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one

1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one (PubChem CID 116579447) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one
PubChem CID116579447
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)C1(N)CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-12(15)13(14)7-8-16-10-13/h11H,3-10,14H2,1-2H3
InChIKeyULPLYROKAUJLPP-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-ethyl-5-propyloxolan-2-one
CID 122697726
3-Amino-3-pentanoyloxolan-2-one
CID 140391407
3-Amino-3-(3-methylbutanoyl)oxolan-2-one
CID 141549589
3-Amino-3-hexanoyloxolan-2-one
CID 141549590
3-Amino-3-ethyl-5-propyloxolan-2-one
CID 145185605
(1S)-1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one
CID 172817750
1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one
CID 172817751
3-Amino-3-pentyloxolan-2-one
CID 174336669
Ethyl 2-amino-2-(3-methylbutanoyl)heptanoate;hydrate
CID 174496904
Ethyl 2-amino-2-(2-methylpropyl)-3-oxooctanoate
CID 174714058
(3-Aminooxolan-3-yl)-(oxan-3-yl)methanone
CID 107138396
1-(3-Aminooxolan-3-yl)-2-methylpentan-1-one
CID 107890092

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one (CID 116579447) is 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one is CCCCC(CC)CC(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one?
The InChIKey is ULPLYROKAUJLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-12(15)13(14)7-8-16-10-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one?
1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one is sourced from PubChem (CID 116579447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).