aziridine;propane

C5H13N — CID 160500673

IUPACaziridine;propane
SMILESC1CN1.CCC
InChIInChI=1S/C3H8.C2H5N/c1-3-2;1-2-3-1/h3H2,1-2H3;3H,1-2H2
InChIKeyQRSVTIJXZYGABU-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.01
Rot. Bonds

About aziridine;propane

aziridine;propane (PubChem CID 160500673) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is aziridine;propane.

Molecular Properties

Compound Nameaziridine;propane
PubChem CID160500673
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Nameaziridine;propane
SMILESC1CN1.CCC
InChIInChI=1S/C3H8.C2H5N/c1-3-2;1-2-3-1/h3H2,1-2H3;3H,1-2H2
InChIKeyQRSVTIJXZYGABU-UHFFFAOYSA-N
XLogP1.01
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aziridine;propane?
The IUPAC name of aziridine;propane (CID 160500673) is aziridine;propane.
What is the SMILES notation for aziridine;propane?
The canonical SMILES for aziridine;propane is C1CN1.CCC.
What is the InChIKey of aziridine;propane?
The InChIKey is QRSVTIJXZYGABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H5N/c1-3-2;1-2-3-1/h3H2,1-2H3;3H,1-2H2.
What are the key properties of aziridine;propane?
aziridine;propane has a molecular weight of 87.17 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;propane is sourced from PubChem (CID 160500673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).