azetidine;butane;ethane;ethene

C11H27N — CID 145230947

IUPACazetidine;butane;ethane;ethene
SMILESC1CNC1.C=C.CC.CCCC
InChIInChI=1S/C4H10.C3H7N.C2H6.C2H4/c1-3-4-2;1-2-4-3-1;2*1-2/h3-4H2,1-2H3;4H,1-3H2;1-2H3;1-2H2
InChIKeyVJWNUVBARKWXDG-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.61
Rot. Bonds1

About azetidine;butane;ethane;ethene

azetidine;butane;ethane;ethene (PubChem CID 145230947) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is azetidine;butane;ethane;ethene.

Molecular Properties

Compound Nameazetidine;butane;ethane;ethene
PubChem CID145230947
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameazetidine;butane;ethane;ethene
SMILESC1CNC1.C=C.CC.CCCC
InChIInChI=1S/C4H10.C3H7N.C2H6.C2H4/c1-3-4-2;1-2-4-3-1;2*1-2/h3-4H2,1-2H3;4H,1-3H2;1-2H3;1-2H2
InChIKeyVJWNUVBARKWXDG-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azetidine;butane;ethane;ethene?
The IUPAC name of azetidine;butane;ethane;ethene (CID 145230947) is azetidine;butane;ethane;ethene.
What is the SMILES notation for azetidine;butane;ethane;ethene?
The canonical SMILES for azetidine;butane;ethane;ethene is C1CNC1.C=C.CC.CCCC.
What is the InChIKey of azetidine;butane;ethane;ethene?
The InChIKey is VJWNUVBARKWXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7N.C2H6.C2H4/c1-3-4-2;1-2-4-3-1;2*1-2/h3-4H2,1-2H3;4H,1-3H2;1-2H3;1-2H2.
What are the key properties of azetidine;butane;ethane;ethene?
azetidine;butane;ethane;ethene has a molecular weight of 173.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;butane;ethane;ethene is sourced from PubChem (CID 145230947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).