1-(propan-2-ylideneamino)oxyethyl propanoate

C8H15NO3 — CID 88654744

IUPAC1-(propan-2-ylideneamino)oxyethyl propanoate
SMILESCCC(=O)OC(C)ON=C(C)C
InChIInChI=1S/C8H15NO3/c1-5-8(10)11-7(4)12-9-6(2)3/h7H,5H2,1-4H3
InChIKeyDECIOOADNXYKAJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.70
Rot. Bonds4

About 1-(propan-2-ylideneamino)oxyethyl propanoate

1-(propan-2-ylideneamino)oxyethyl propanoate (PubChem CID 88654744) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)oxyethyl propanoate.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)oxyethyl propanoate
PubChem CID88654744
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(propan-2-ylideneamino)oxyethyl propanoate
SMILESCCC(=O)OC(C)ON=C(C)C
InChIInChI=1S/C8H15NO3/c1-5-8(10)11-7(4)12-9-6(2)3/h7H,5H2,1-4H3
InChIKeyDECIOOADNXYKAJ-UHFFFAOYSA-N
XLogP1.70
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-one;propan-2-yl propanoate
CID 161266557
3-propanoyloxybutan-2-yl propanoate
CID 14494224
2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 170637718
methane;1-propanoyloxyethyl 2-methylpropanoate
CID 161244899
propanoyl (113C)propanoate
CID 91179573
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
(2S)-2-(propan-2-ylideneamino)oxypropanoate
CID 6931653
1-acetyloxypropyl propanoate
CID 141272286
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
CID 15049400
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
1-propanoyloxyethanesulfonic acid
CID 173197571

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylideneamino)oxyethyl propanoate?
The IUPAC name of 1-(propan-2-ylideneamino)oxyethyl propanoate (CID 88654744) is 1-(propan-2-ylideneamino)oxyethyl propanoate.
What is the SMILES notation for 1-(propan-2-ylideneamino)oxyethyl propanoate?
The canonical SMILES for 1-(propan-2-ylideneamino)oxyethyl propanoate is CCC(=O)OC(C)ON=C(C)C.
What is the InChIKey of 1-(propan-2-ylideneamino)oxyethyl propanoate?
The InChIKey is DECIOOADNXYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-8(10)11-7(4)12-9-6(2)3/h7H,5H2,1-4H3.
What are the key properties of 1-(propan-2-ylideneamino)oxyethyl propanoate?
1-(propan-2-ylideneamino)oxyethyl propanoate has a molecular weight of 173.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)oxyethyl propanoate is sourced from PubChem (CID 88654744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).