azane;prop-2-enyl propanoate

C6H13NO2 — CID 87729437

IUPACazane;prop-2-enyl propanoate
SMILESC=CCOC(=O)CC.N
InChIInChI=1S/C6H10O2.H3N/c1-3-5-8-6(7)4-2;/h3H,1,4-5H2,2H3;1H3
InChIKeySPIFXALUJXVMTK-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.29
Rot. Bonds3

About azane;prop-2-enyl propanoate

azane;prop-2-enyl propanoate (PubChem CID 87729437) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is azane;prop-2-enyl propanoate.

Molecular Properties

Compound Nameazane;prop-2-enyl propanoate
PubChem CID87729437
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nameazane;prop-2-enyl propanoate
SMILESC=CCOC(=O)CC.N
InChIInChI=1S/C6H10O2.H3N/c1-3-5-8-6(7)4-2;/h3H,1,4-5H2,2H3;1H3
InChIKeySPIFXALUJXVMTK-UHFFFAOYSA-N
XLogP1.29
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;prop-2-enyl propanoate
CID 174815872
propan-2-one;prop-2-enyl propanoate
CID 174904905
penta-2,4-dienyl propanoate
CID 54073728
azane;prop-2-enyl but-3-enoate
CID 88514758
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
butan-2-one;prop-2-enyl acetate
CID 118347758
prop-2-enyl 2-methylidenebutanoate
CID 12684713
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
prop-2-enyl pentadecanoate
CID 87531612
ethyl-(2-oxo-2-prop-2-enoxyethyl)azanium;hydrobromide
CID 126957277
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl 2-dimethylphosphorylacetate
CID 89403002

Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enyl propanoate?
The IUPAC name of azane;prop-2-enyl propanoate (CID 87729437) is azane;prop-2-enyl propanoate.
What is the SMILES notation for azane;prop-2-enyl propanoate?
The canonical SMILES for azane;prop-2-enyl propanoate is C=CCOC(=O)CC.N.
What is the InChIKey of azane;prop-2-enyl propanoate?
The InChIKey is SPIFXALUJXVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.H3N/c1-3-5-8-6(7)4-2;/h3H,1,4-5H2,2H3;1H3.
What are the key properties of azane;prop-2-enyl propanoate?
azane;prop-2-enyl propanoate has a molecular weight of 131.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enyl propanoate is sourced from PubChem (CID 87729437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).