(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one

C26H39NO — CID 129157184

IUPAC(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC=C1C
InChIInChI=1S/C26H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(28)27-24-21-20-22-25(27)2/h4-5,7-8,10-11,13-14,16-17,22H,3,6,9,12,15,18-21,23-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeySAKVNEDKHDUVDG-JEBPEJKESA-N
MW381.60 g/mol
LogP7.43
Rot. Bonds13

About (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one

(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one (PubChem CID 129157184) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one
PubChem CID129157184
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC=C1C
InChIInChI=1S/C26H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(28)27-24-21-20-22-25(27)2/h4-5,7-8,10-11,13-14,16-17,22H,3,6,9,12,15,18-21,23-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeySAKVNEDKHDUVDG-JEBPEJKESA-N
XLogP7.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.43
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,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one (CID 129157184) is (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC=C1C.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one?
The InChIKey is SAKVNEDKHDUVDG-JEBPEJKESA-N. The full InChI is InChI=1S/C26H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(28)27-24-21-20-22-25(27)2/h4-5,7-8,10-11,13-14,16-17,22H,3,6,9,12,15,18-21,23-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one?
(5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one has a molecular weight of 381.60 g/mol, XLogP of 7.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-1-(6-methyl-3,4-dihydro-2H-pyridin-1-yl)icosa-5,8,11,14,17-pentaen-1-one is sourced from PubChem (CID 129157184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).