azane;ethene;propanoic acid

C17H40N2O6 — CID 173413938

IUPACazane;ethene;propanoic acid
SMILESC=C.C=C.C=C.C=C.CCC(=O)O.CCC(=O)O.CCC(=O)O.N.N
InChIInChI=1S/3C3H6O2.4C2H4.2H3N/c3*1-2-3(4)5;4*1-2;;/h3*2H2,1H3,(H,4,5);4*1-2H2;2*1H3
InChIKeyJGNLGIOTMAYPPL-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.98
Rot. Bonds3

About azane;ethene;propanoic acid

azane;ethene;propanoic acid (PubChem CID 173413938) has the molecular formula C17H40N2O6 and a molecular weight of 368.52 g/mol. Its IUPAC name is azane;ethene;propanoic acid.

Molecular Properties

Compound Nameazane;ethene;propanoic acid
PubChem CID173413938
Molecular FormulaC17H40N2O6
Molecular Weight368.52 g/mol
Exact Mass368.29
IUPAC Nameazane;ethene;propanoic acid
SMILESC=C.C=C.C=C.C=C.CCC(=O)O.CCC(=O)O.CCC(=O)O.N.N
InChIInChI=1S/3C3H6O2.4C2H4.2H3N/c3*1-2-3(4)5;4*1-2;;/h3*2H2,1H3,(H,4,5);4*1-2H2;2*1H3
InChIKeyJGNLGIOTMAYPPL-UHFFFAOYSA-N
XLogP4.98
TPSA181.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethene;propanoic acid
CID 158726825
azane;propanoic acid;hydrofluoride
CID 174943472
mercury(2+);propanoic acid
CID 23623813
alumane;propanoic acid
CID 173234599
nickel;propanoic acid
CID 54601332
propanoic acid;yttrium
CID 59015039
propanoic acid;hydrate
CID 57432895
CID 87066971
CID 87066971
propanoic acid;dihydrochloride
CID 87391840
propanoic acid;zirconium
CID 88666887
propanoic acid;dihydrofluoride
CID 173419874
indigane;propanoic acid
CID 173208103

Frequently Asked Questions

What is the IUPAC name of azane;ethene;propanoic acid?
The IUPAC name of azane;ethene;propanoic acid (CID 173413938) is azane;ethene;propanoic acid.
What is the SMILES notation for azane;ethene;propanoic acid?
The canonical SMILES for azane;ethene;propanoic acid is C=C.C=C.C=C.C=C.CCC(=O)O.CCC(=O)O.CCC(=O)O.N.N.
What is the InChIKey of azane;ethene;propanoic acid?
The InChIKey is JGNLGIOTMAYPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6O2.4C2H4.2H3N/c3*1-2-3(4)5;4*1-2;;/h3*2H2,1H3,(H,4,5);4*1-2H2;2*1H3.
What are the key properties of azane;ethene;propanoic acid?
azane;ethene;propanoic acid has a molecular weight of 368.52 g/mol, XLogP of 4.98, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethene;propanoic acid is sourced from PubChem (CID 173413938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).