azetidine;prop-2-en-1-amine

C6H14N2 — CID 176967450

IUPACazetidine;prop-2-en-1-amine
SMILESC1CNC1.C=CCN
InChIInChI=1S/2C3H7N/c1-2-4-3-1;1-2-3-4/h4H,1-3H2;2H,1,3-4H2
InChIKeyJONSDDSUHJIOFY-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.11
Rot. Bonds1

About azetidine;prop-2-en-1-amine

azetidine;prop-2-en-1-amine (PubChem CID 176967450) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is azetidine;prop-2-en-1-amine.

Molecular Properties

Compound Nameazetidine;prop-2-en-1-amine
PubChem CID176967450
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameazetidine;prop-2-en-1-amine
SMILESC1CNC1.C=CCN
InChIInChI=1S/2C3H7N/c1-2-4-3-1;1-2-3-4/h4H,1-3H2;2H,1,3-4H2
InChIKeyJONSDDSUHJIOFY-UHFFFAOYSA-N
XLogP0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;prop-2-en-1-amine?
The IUPAC name of azetidine;prop-2-en-1-amine (CID 176967450) is azetidine;prop-2-en-1-amine.
What is the SMILES notation for azetidine;prop-2-en-1-amine?
The canonical SMILES for azetidine;prop-2-en-1-amine is C1CNC1.C=CCN.
What is the InChIKey of azetidine;prop-2-en-1-amine?
The InChIKey is JONSDDSUHJIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7N/c1-2-4-3-1;1-2-3-4/h4H,1-3H2;2H,1,3-4H2.
What are the key properties of azetidine;prop-2-en-1-amine?
azetidine;prop-2-en-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;prop-2-en-1-amine is sourced from PubChem (CID 176967450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).