3-(1-ethoxyethenyl)azetidine

C7H13NO — CID 178013420

IUPAC3-(1-ethoxyethenyl)azetidine
SMILESC=C(OCC)C1CNC1
InChIInChI=1S/C7H13NO/c1-3-9-6(2)7-4-8-5-7/h7-8H,2-5H2,1H3
InChIKeyKSQLOPYQRVYWMQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.76
Rot. Bonds3

About 3-(1-ethoxyethenyl)azetidine

3-(1-ethoxyethenyl)azetidine (PubChem CID 178013420) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)azetidine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)azetidine
PubChem CID178013420
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(1-ethoxyethenyl)azetidine
SMILESC=C(OCC)C1CNC1
InChIInChI=1S/C7H13NO/c1-3-9-6(2)7-4-8-5-7/h7-8H,2-5H2,1H3
InChIKeyKSQLOPYQRVYWMQ-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)azetidine?
The IUPAC name of 3-(1-ethoxyethenyl)azetidine (CID 178013420) is 3-(1-ethoxyethenyl)azetidine.
What is the SMILES notation for 3-(1-ethoxyethenyl)azetidine?
The canonical SMILES for 3-(1-ethoxyethenyl)azetidine is C=C(OCC)C1CNC1.
What is the InChIKey of 3-(1-ethoxyethenyl)azetidine?
The InChIKey is KSQLOPYQRVYWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-9-6(2)7-4-8-5-7/h7-8H,2-5H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)azetidine?
3-(1-ethoxyethenyl)azetidine has a molecular weight of 127.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)azetidine is sourced from PubChem (CID 178013420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).