azane;pentanedial

C5H14N2O2 — CID 87994835

IUPACazane;pentanedial
SMILESN.N.O=CCCCC=O
InChIInChI=1S/C5H8O2.2H3N/c6-4-2-1-3-5-7;;/h4-5H,1-3H2;2*1H3
InChIKeyVPSZAUVXFDGIIK-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.88
Rot. Bonds4

About azane;pentanedial

azane;pentanedial (PubChem CID 87994835) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is azane;pentanedial.

Molecular Properties

Compound Nameazane;pentanedial
PubChem CID87994835
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Nameazane;pentanedial
SMILESN.N.O=CCCCC=O
InChIInChI=1S/C5H8O2.2H3N/c6-4-2-1-3-5-7;;/h4-5H,1-3H2;2*1H3
InChIKeyVPSZAUVXFDGIIK-UHFFFAOYSA-N
XLogP0.88
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;pentanedial?
The IUPAC name of azane;pentanedial (CID 87994835) is azane;pentanedial.
What is the SMILES notation for azane;pentanedial?
The canonical SMILES for azane;pentanedial is N.N.O=CCCCC=O.
What is the InChIKey of azane;pentanedial?
The InChIKey is VPSZAUVXFDGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2H3N/c6-4-2-1-3-5-7;;/h4-5H,1-3H2;2*1H3.
What are the key properties of azane;pentanedial?
azane;pentanedial has a molecular weight of 134.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentanedial is sourced from PubChem (CID 87994835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).