(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol

C19H27NO — CID 145011594

IUPAC(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol
SMILESC=C/C=C(\C=C/C)C(O)(/C(C=C)=C/C=C\C)C1CCCN1
InChIInChI=1S/C19H27NO/c1-5-9-13-16(8-4)19(21,18-14-10-15-20-18)17(11-6-2)12-7-3/h5-9,11-13,18,20-21H,2,4,10,14-15H2,1,3H3/b9-5-,12-7-,16-13+,17-11+
InChIKeyZOHHFBRIOJSPFK-MFCAHRJESA-N
MW285.43 g/mol
LogP3.85
Rot. Bonds7

About (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol

(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol (PubChem CID 145011594) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol.

Molecular Properties

Compound Name(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol
PubChem CID145011594
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol
SMILESC=C/C=C(\C=C/C)C(O)(/C(C=C)=C/C=C\C)C1CCCN1
InChIInChI=1S/C19H27NO/c1-5-9-13-16(8-4)19(21,18-14-10-15-20-18)17(11-6-2)12-7-3/h5-9,11-13,18,20-21H,2,4,10,14-15H2,1,3H3/b9-5-,12-7-,16-13+,17-11+
InChIKeyZOHHFBRIOJSPFK-MFCAHRJESA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
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 (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol?
The IUPAC name of (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol (CID 145011594) is (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol.
What is the SMILES notation for (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol?
The canonical SMILES for (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol is C=C/C=C(\C=C/C)C(O)(/C(C=C)=C/C=C\C)C1CCCN1.
What is the InChIKey of (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol?
The InChIKey is ZOHHFBRIOJSPFK-MFCAHRJESA-N. The full InChI is InChI=1S/C19H27NO/c1-5-9-13-16(8-4)19(21,18-14-10-15-20-18)17(11-6-2)12-7-3/h5-9,11-13,18,20-21H,2,4,10,14-15H2,1,3H3/b9-5-,12-7-,16-13+,17-11+.
What are the key properties of (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol?
(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol has a molecular weight of 285.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5-pyrrolidin-2-yldeca-1,3,6,8-tetraen-5-ol is sourced from PubChem (CID 145011594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).