oxo(pentylidene)azanium

C5H10NO+ — CID 123316528

IUPACoxo(pentylidene)azanium
SMILESCCCCC=[N+]=O
InChIInChI=1S/C5H10NO/c1-2-3-4-5-6-7/h5H,2-4H2,1H3/q+1
InChIKeyDVHIVHDANDSPHH-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.08
Rot. Bonds3

About oxo(pentylidene)azanium

oxo(pentylidene)azanium (PubChem CID 123316528) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is oxo(pentylidene)azanium.

Molecular Properties

Compound Nameoxo(pentylidene)azanium
PubChem CID123316528
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Nameoxo(pentylidene)azanium
SMILESCCCCC=[N+]=O
InChIInChI=1S/C5H10NO/c1-2-3-4-5-6-7/h5H,2-4H2,1H3/q+1
InChIKeyDVHIVHDANDSPHH-UHFFFAOYSA-N
XLogP1.08
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze oxo(pentylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-dodecylidene(oxo)azanium
CID 42627314
[amino(hydroxy)methylidene]-pentylideneazanium chloride
CID 159212624
CID 57418783
CID 57418783
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
pentanal;silver;vanadium
CID 87225713
dec-5-ene;trihydrobromide
CID 175802238
pentylidenemagnesium
CID 141304253
sodium;hex-1-en-1-ol;hydride
CID 174682288
ethane-1,2-diol;pentanal
CID 87390280
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
docos-5-ene
CID 54227700

Frequently Asked Questions

What is the IUPAC name of oxo(pentylidene)azanium?
The IUPAC name of oxo(pentylidene)azanium (CID 123316528) is oxo(pentylidene)azanium.
What is the SMILES notation for oxo(pentylidene)azanium?
The canonical SMILES for oxo(pentylidene)azanium is CCCCC=[N+]=O.
What is the InChIKey of oxo(pentylidene)azanium?
The InChIKey is DVHIVHDANDSPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-2-3-4-5-6-7/h5H,2-4H2,1H3/q+1.
What are the key properties of oxo(pentylidene)azanium?
oxo(pentylidene)azanium has a molecular weight of 100.14 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(pentylidene)azanium is sourced from PubChem (CID 123316528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).