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

C12H21NO — CID 123830683

IUPAC3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine
SMILESC=C(C=CC)C(C)N1CCC(OC)C1
InChIInChI=1S/C12H21NO/c1-5-6-10(2)11(3)13-8-7-12(9-13)14-4/h5-6,11-12H,2,7-9H2,1,3-4H3
InChIKeyYUEHZCXCOFZEQI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds4

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

3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine (PubChem CID 123830683) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine
PubChem CID123830683
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine
SMILESC=C(C=CC)C(C)N1CCC(OC)C1
InChIInChI=1S/C12H21NO/c1-5-6-10(2)11(3)13-8-7-12(9-13)14-4/h5-6,11-12H,2,7-9H2,1,3-4H3
InChIKeyYUEHZCXCOFZEQI-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
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)pyrrolidine?
The IUPAC name of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine (CID 123830683) is 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine.
What is the SMILES notation for 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine?
The canonical SMILES for 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine is C=C(C=CC)C(C)N1CCC(OC)C1.
What is the InChIKey of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine?
The InChIKey is YUEHZCXCOFZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-10(2)11(3)13-8-7-12(9-13)14-4/h5-6,11-12H,2,7-9H2,1,3-4H3.
What are the key properties of 3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine?
3-methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 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)pyrrolidine is sourced from PubChem (CID 123830683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).