(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one

C32H57NO — CID 91705235

IUPAC(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC/C=C\CC/C=C\CCCC(=O)N1CCCC1
InChIInChI=1S/C32H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h9-10,19-20,23-24H,2-8,11-18,21-22,25-31H2,1H3/b10-9-,20-19-,24-23-
InChIKeyQNHAYKVESVBFTH-ODVDNBHRSA-N
MW471.81 g/mol
LogP10.10
Rot. Bonds23

About (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one

(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one (PubChem CID 91705235) has the molecular formula C32H57NO and a molecular weight of 471.81 g/mol. Its IUPAC name is (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one.

Molecular Properties

Compound Name(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one
PubChem CID91705235
Molecular FormulaC32H57NO
Molecular Weight471.81 g/mol
Exact Mass471.44
IUPAC Name(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC/C=C\CC/C=C\CCCC(=O)N1CCCC1
InChIInChI=1S/C32H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h9-10,19-20,23-24H,2-8,11-18,21-22,25-31H2,1H3/b10-9-,20-19-,24-23-
InChIKeyQNHAYKVESVBFTH-ODVDNBHRSA-N
XLogP10.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.81
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one?
The IUPAC name of (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one (CID 91705235) is (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one.
What is the SMILES notation for (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one?
The canonical SMILES for (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one is CCCCCCCC/C=C\CCCCCCCC/C=C\CC/C=C\CCCC(=O)N1CCCC1.
What is the InChIKey of (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one?
The InChIKey is QNHAYKVESVBFTH-ODVDNBHRSA-N. The full InChI is InChI=1S/C32H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h9-10,19-20,23-24H,2-8,11-18,21-22,25-31H2,1H3/b10-9-,20-19-,24-23-.
What are the key properties of (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one?
(5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one has a molecular weight of 471.81 g/mol, XLogP of 10.10, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,19Z)-1-pyrrolidin-1-yloctacosa-5,9,19-trien-1-one is sourced from PubChem (CID 91705235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).