3-methyl-3-pent-4-enoxyazetidine

C9H17NO — CID 83067660

IUPAC3-methyl-3-pent-4-enoxyazetidine
SMILESC=CCCCOC1(C)CNC1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-11-9(2)7-10-8-9/h3,10H,1,4-8H2,2H3
InChIKeyCSFVDIHGHRVSEE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds5

About 3-methyl-3-pent-4-enoxyazetidine

3-methyl-3-pent-4-enoxyazetidine (PubChem CID 83067660) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-3-pent-4-enoxyazetidine.

Molecular Properties

Compound Name3-methyl-3-pent-4-enoxyazetidine
PubChem CID83067660
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-3-pent-4-enoxyazetidine
SMILESC=CCCCOC1(C)CNC1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-11-9(2)7-10-8-9/h3,10H,1,4-8H2,2H3
InChIKeyCSFVDIHGHRVSEE-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pent-4-enoxyazetidine?
The IUPAC name of 3-methyl-3-pent-4-enoxyazetidine (CID 83067660) is 3-methyl-3-pent-4-enoxyazetidine.
What is the SMILES notation for 3-methyl-3-pent-4-enoxyazetidine?
The canonical SMILES for 3-methyl-3-pent-4-enoxyazetidine is C=CCCCOC1(C)CNC1.
What is the InChIKey of 3-methyl-3-pent-4-enoxyazetidine?
The InChIKey is CSFVDIHGHRVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-6-11-9(2)7-10-8-9/h3,10H,1,4-8H2,2H3.
What are the key properties of 3-methyl-3-pent-4-enoxyazetidine?
3-methyl-3-pent-4-enoxyazetidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pent-4-enoxyazetidine is sourced from PubChem (CID 83067660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).