4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one

C10H16N2O3 — CID 54339729

IUPAC4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one
SMILESCCC(=O)C/C(CC)=N/C1CONC1=O
InChIInChI=1S/C10H16N2O3/c1-3-7(5-8(13)4-2)11-9-6-15-12-10(9)14/h9H,3-6H2,1-2H3,(H,12,14)/b11-7+
InChIKeyTYBATWXNTYWSQJ-YRNVUSSQSA-N
MW212.25 g/mol
LogP0.64
Rot. Bonds5

About 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one

4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one (PubChem CID 54339729) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one
PubChem CID54339729
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one
SMILESCCC(=O)C/C(CC)=N/C1CONC1=O
InChIInChI=1S/C10H16N2O3/c1-3-7(5-8(13)4-2)11-9-6-15-12-10(9)14/h9H,3-6H2,1-2H3,(H,12,14)/b11-7+
InChIKeyTYBATWXNTYWSQJ-YRNVUSSQSA-N
XLogP0.64
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-1,2-oxazolidin-3-one
CID 130835768
N'-(3-oxo-1,2-oxazolidin-4-yl)cyclopentanecarboximidamide
CID 127011776
(5E)-5-hydroxyiminoheptan-3-one
CID 88798482
4-ethyl-1,2-oxazolidin-3-one
CID 153007906
4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,2-oxazolidin-3-one
CID 71333868
(2R)-2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 107570093
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79524181
5-(2-hydroxyethylimino)heptan-3-one
CID 139343060
4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 21429042
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79524440
2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 79524259
(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 6441072

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one?
The IUPAC name of 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one (CID 54339729) is 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one is CCC(=O)C/C(CC)=N/C1CONC1=O.
What is the InChIKey of 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one?
The InChIKey is TYBATWXNTYWSQJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-7(5-8(13)4-2)11-9-6-15-12-10(9)14/h9H,3-6H2,1-2H3,(H,12,14)/b11-7+.
What are the key properties of 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one?
4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one is sourced from PubChem (CID 54339729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).