azane;pentanedial

C5H11NO2 — CID 22904871

IUPACazane;pentanedial
SMILESN.O=CCCCC=O
InChIInChI=1S/C5H8O2.H3N/c6-4-2-1-3-5-7;/h4-5H,1-3H2;1H3
InChIKeyQPENCXYRXFZLDL-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.72
Rot. Bonds4

About azane;pentanedial

azane;pentanedial (PubChem CID 22904871) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is azane;pentanedial.

Molecular Properties

Compound Nameazane;pentanedial
PubChem CID22904871
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameazane;pentanedial
SMILESN.O=CCCCC=O
InChIInChI=1S/C5H8O2.H3N/c6-4-2-1-3-5-7;/h4-5H,1-3H2;1H3
InChIKeyQPENCXYRXFZLDL-UHFFFAOYSA-N
XLogP0.72
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 22904871) is azane;pentanedial.
What is the SMILES notation for azane;pentanedial?
The canonical SMILES for azane;pentanedial is N.O=CCCCC=O.
What is the InChIKey of azane;pentanedial?
The InChIKey is QPENCXYRXFZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.H3N/c6-4-2-1-3-5-7;/h4-5H,1-3H2;1H3.
What are the key properties of azane;pentanedial?
azane;pentanedial has a molecular weight of 117.15 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentanedial is sourced from PubChem (CID 22904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).