3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine

C11H19NO — CID 123228638

IUPAC3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine
SMILESC=C(C=CC)C(C)N1CC(OC)C1
InChIInChI=1S/C11H19NO/c1-5-6-9(2)10(3)12-7-11(8-12)13-4/h5-6,10-11H,2,7-8H2,1,3-4H3
InChIKeyYCLFEHTVZJGWAP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds4

About 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine

3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine (PubChem CID 123228638) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine.

Molecular Properties

Compound Name3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine
PubChem CID123228638
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine
SMILESC=C(C=CC)C(C)N1CC(OC)C1
InChIInChI=1S/C11H19NO/c1-5-6-9(2)10(3)12-7-11(8-12)13-4/h5-6,10-11H,2,7-8H2,1,3-4H3
InChIKeyYCLFEHTVZJGWAP-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine?
The IUPAC name of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine (CID 123228638) is 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine.
What is the SMILES notation for 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine?
The canonical SMILES for 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine is C=C(C=CC)C(C)N1CC(OC)C1.
What is the InChIKey of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine?
The InChIKey is YCLFEHTVZJGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-9(2)10(3)12-7-11(8-12)13-4/h5-6,10-11H,2,7-8H2,1,3-4H3.
What are the key properties of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine?
3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine has a molecular weight of 181.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylidenehex-4-en-2-yl)azetidine is sourced from PubChem (CID 123228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).