azetidine;ethane;molecular hydrogen

C5H15N — CID 156713994

IUPACazetidine;ethane;molecular hydrogen
SMILESC1CNC1.CC.[H][H]
InChIInChI=1S/C3H7N.C2H6.H2/c1-2-4-3-1;1-2;/h4H,1-3H2;1-2H3;1H
InChIKeyWNWCCGCZUOTQMU-UHFFFAOYSA-N
MW89.18 g/mol
LogP1.25
Rot. Bonds

About azetidine;ethane;molecular hydrogen

azetidine;ethane;molecular hydrogen (PubChem CID 156713994) has the molecular formula C5H15N and a molecular weight of 89.18 g/mol. Its IUPAC name is azetidine;ethane;molecular hydrogen.

Molecular Properties

Compound Nameazetidine;ethane;molecular hydrogen
PubChem CID156713994
Molecular FormulaC5H15N
Molecular Weight89.18 g/mol
Exact Mass89.12
IUPAC Nameazetidine;ethane;molecular hydrogen
SMILESC1CNC1.CC.[H][H]
InChIInChI=1S/C3H7N.C2H6.H2/c1-2-4-3-1;1-2;/h4H,1-3H2;1-2H3;1H
InChIKeyWNWCCGCZUOTQMU-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azetidine;ethane;molecular hydrogen?
The IUPAC name of azetidine;ethane;molecular hydrogen (CID 156713994) is azetidine;ethane;molecular hydrogen.
What is the SMILES notation for azetidine;ethane;molecular hydrogen?
The canonical SMILES for azetidine;ethane;molecular hydrogen is C1CNC1.CC.[H][H].
What is the InChIKey of azetidine;ethane;molecular hydrogen?
The InChIKey is WNWCCGCZUOTQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C2H6.H2/c1-2-4-3-1;1-2;/h4H,1-3H2;1-2H3;1H.
What are the key properties of azetidine;ethane;molecular hydrogen?
azetidine;ethane;molecular hydrogen has a molecular weight of 89.18 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;ethane;molecular hydrogen is sourced from PubChem (CID 156713994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).