non-1-ene;pyrrolidine

C13H27N — CID 67533369

IUPACnon-1-ene;pyrrolidine
SMILESC1CCNC1.C=CCCCCCCC
InChIInChI=1S/C9H18.C4H9N/c1-3-5-7-9-8-6-4-2;1-2-4-5-3-1/h3H,1,4-9H2,2H3;5H,1-4H2
InChIKeyXXMJVUDODQAYSR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.90
Rot. Bonds6

About non-1-ene;pyrrolidine

non-1-ene;pyrrolidine (PubChem CID 67533369) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is non-1-ene;pyrrolidine.

Molecular Properties

Compound Namenon-1-ene;pyrrolidine
PubChem CID67533369
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Namenon-1-ene;pyrrolidine
SMILESC1CCNC1.C=CCCCCCCC
InChIInChI=1S/C9H18.C4H9N/c1-3-5-7-9-8-6-4-2;1-2-4-5-3-1/h3H,1,4-9H2,2H3;5H,1-4H2
InChIKeyXXMJVUDODQAYSR-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oct-1-ene;piperazine;silane
CID 175359517
cyclopentane;hept-1-ene
CID 159296541
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of non-1-ene;pyrrolidine?
The IUPAC name of non-1-ene;pyrrolidine (CID 67533369) is non-1-ene;pyrrolidine.
What is the SMILES notation for non-1-ene;pyrrolidine?
The canonical SMILES for non-1-ene;pyrrolidine is C1CCNC1.C=CCCCCCCC.
What is the InChIKey of non-1-ene;pyrrolidine?
The InChIKey is XXMJVUDODQAYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H9N/c1-3-5-7-9-8-6-4-2;1-2-4-5-3-1/h3H,1,4-9H2,2H3;5H,1-4H2.
What are the key properties of non-1-ene;pyrrolidine?
non-1-ene;pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene;pyrrolidine is sourced from PubChem (CID 67533369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).