5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol

C14H21NO — CID 145395498

IUPAC5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C\C(=C/C)CN1CC(O)CC1C=C
InChIInChI=1S/C14H21NO/c1-4-7-8-12(5-2)10-15-11-14(16)9-13(15)6-3/h4-8,13-14,16H,1,3,9-11H2,2H3/b8-7-,12-5+
InChIKeyCPCBNWSQXSTUEO-KRMQVSRUSA-N
MW219.33 g/mol
LogP2.30
Rot. Bonds5

About 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol

5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol (PubChem CID 145395498) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol
PubChem CID145395498
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C\C(=C/C)CN1CC(O)CC1C=C
InChIInChI=1S/C14H21NO/c1-4-7-8-12(5-2)10-15-11-14(16)9-13(15)6-3/h4-8,13-14,16H,1,3,9-11H2,2H3/b8-7-,12-5+
InChIKeyCPCBNWSQXSTUEO-KRMQVSRUSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol?
The IUPAC name of 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol (CID 145395498) is 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol?
The canonical SMILES for 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol is C=C/C=C\C(=C/C)CN1CC(O)CC1C=C.
What is the InChIKey of 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol?
The InChIKey is CPCBNWSQXSTUEO-KRMQVSRUSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-8-12(5-2)10-15-11-14(16)9-13(15)6-3/h4-8,13-14,16H,1,3,9-11H2,2H3/b8-7-,12-5+.
What are the key properties of 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol?
5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol is sourced from PubChem (CID 145395498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).