25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one

C32H59NO — CID 574957

IUPAC25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one
SMILESCCC(C)CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)N1CCCC1
InChIInChI=1S/C32H59NO/c1-3-31(2)27-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-28-32(34)33-29-25-26-30-33/h10,12,18,20,31H,3-9,11,13-17,19,21-30H2,1-2H3
InChIKeyAYXCSUBMVVPJMY-UHFFFAOYSA-N
MW473.83 g/mol
LogP10.18
Rot. Bonds23

About 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one

25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one (PubChem CID 574957) has the molecular formula C32H59NO and a molecular weight of 473.83 g/mol. Its IUPAC name is 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one.

Molecular Properties

Compound Name25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one
PubChem CID574957
Molecular FormulaC32H59NO
Molecular Weight473.83 g/mol
Exact Mass473.46
IUPAC Name25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one
SMILESCCC(C)CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)N1CCCC1
InChIInChI=1S/C32H59NO/c1-3-31(2)27-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-28-32(34)33-29-25-26-30-33/h10,12,18,20,31H,3-9,11,13-17,19,21-30H2,1-2H3
InChIKeyAYXCSUBMVVPJMY-UHFFFAOYSA-N
XLogP10.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 510.18
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 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one?
The IUPAC name of 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one (CID 574957) is 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one.
What is the SMILES notation for 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one?
The canonical SMILES for 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one is CCC(C)CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)N1CCCC1.
What is the InChIKey of 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one?
The InChIKey is AYXCSUBMVVPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59NO/c1-3-31(2)27-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-28-32(34)33-29-25-26-30-33/h10,12,18,20,31H,3-9,11,13-17,19,21-30H2,1-2H3.
What are the key properties of 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one?
25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one has a molecular weight of 473.83 g/mol, XLogP of 10.18, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-methyl-1-pyrrolidin-1-ylheptacosa-5,9-dien-1-one is sourced from PubChem (CID 574957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).