(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one

C26H39NO — CID 91705072

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCCC1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyJUMJHELVPBEFME-KUBAVDMBSA-N
MW381.60 g/mol
LogP7.09
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one

(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one (PubChem CID 91705072) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one
PubChem CID91705072
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCCC1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyJUMJHELVPBEFME-KUBAVDMBSA-N
XLogP7.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one (CID 91705072) is (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCCC1.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The InChIKey is JUMJHELVPBEFME-KUBAVDMBSA-N. The full InChI is InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one?
(4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one has a molecular weight of 381.60 g/mol, XLogP of 7.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-1-pyrrolidin-1-yldocosa-4,7,10,13,16,19-hexaen-1-one is sourced from PubChem (CID 91705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).