1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine

C15H25NO — CID 143307518

IUPAC1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine
SMILESC=C(C)/C=C\C(=C)OC1CCN(CCCC)C1
InChIInChI=1S/C15H25NO/c1-5-6-10-16-11-9-15(12-16)17-14(4)8-7-13(2)3/h7-8,15H,2,4-6,9-12H2,1,3H3/b8-7-
InChIKeyQFGMTMXGIZRVCY-FPLPWBNLSA-N
MW235.37 g/mol
LogP3.52
Rot. Bonds7

About 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine

1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine (PubChem CID 143307518) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine.

Molecular Properties

Compound Name1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine
PubChem CID143307518
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine
SMILESC=C(C)/C=C\C(=C)OC1CCN(CCCC)C1
InChIInChI=1S/C15H25NO/c1-5-6-10-16-11-9-15(12-16)17-14(4)8-7-13(2)3/h7-8,15H,2,4-6,9-12H2,1,3H3/b8-7-
InChIKeyQFGMTMXGIZRVCY-FPLPWBNLSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 129059990
CID 129059990
CID 142995078
CID 142995078
CID 143167676
CID 143167676
CID 17915424
CID 17915424
CID 67950924
CID 67950924
CID 68393562
CID 68393562
CID 90054690
CID 90054690
CID 123442963
CID 123442963
CID 123767477
CID 123767477
CID 129015908
CID 129015908
CID 129059958
CID 129059958
CID 129059964
CID 129059964

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine?
The IUPAC name of 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine (CID 143307518) is 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine.
What is the SMILES notation for 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine?
The canonical SMILES for 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine is C=C(C)/C=C\C(=C)OC1CCN(CCCC)C1.
What is the InChIKey of 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine?
The InChIKey is QFGMTMXGIZRVCY-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-10-16-11-9-15(12-16)17-14(4)8-7-13(2)3/h7-8,15H,2,4-6,9-12H2,1,3H3/b8-7-.
What are the key properties of 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine?
1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine has a molecular weight of 235.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypyrrolidine is sourced from PubChem (CID 143307518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).