15-methyl-1-pyrrolidin-1-yltricosan-1-one

C28H55NO — CID 86022778

IUPAC15-methyl-1-pyrrolidin-1-yltricosan-1-one
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C28H55NO/c1-3-4-5-6-14-17-22-27(2)23-18-15-12-10-8-7-9-11-13-16-19-24-28(30)29-25-20-21-26-29/h27H,3-26H2,1-2H3
InChIKeyJHOPDMDPJZMJNG-UHFFFAOYSA-N
MW421.75 g/mol
LogP9.07
Rot. Bonds21

About 15-methyl-1-pyrrolidin-1-yltricosan-1-one

15-methyl-1-pyrrolidin-1-yltricosan-1-one (PubChem CID 86022778) has the molecular formula C28H55NO and a molecular weight of 421.75 g/mol. Its IUPAC name is 15-methyl-1-pyrrolidin-1-yltricosan-1-one.

Molecular Properties

Compound Name15-methyl-1-pyrrolidin-1-yltricosan-1-one
PubChem CID86022778
Molecular FormulaC28H55NO
Molecular Weight421.75 g/mol
Exact Mass421.43
IUPAC Name15-methyl-1-pyrrolidin-1-yltricosan-1-one
SMILESCCCCCCCCC(C)CCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C28H55NO/c1-3-4-5-6-14-17-22-27(2)23-18-15-12-10-8-7-9-11-13-16-19-24-28(30)29-25-20-21-26-29/h27H,3-26H2,1-2H3
InChIKeyJHOPDMDPJZMJNG-UHFFFAOYSA-N
XLogP9.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-1-pyrrolidin-1-yltricosan-1-one?
The IUPAC name of 15-methyl-1-pyrrolidin-1-yltricosan-1-one (CID 86022778) is 15-methyl-1-pyrrolidin-1-yltricosan-1-one.
What is the SMILES notation for 15-methyl-1-pyrrolidin-1-yltricosan-1-one?
The canonical SMILES for 15-methyl-1-pyrrolidin-1-yltricosan-1-one is CCCCCCCCC(C)CCCCCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 15-methyl-1-pyrrolidin-1-yltricosan-1-one?
The InChIKey is JHOPDMDPJZMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO/c1-3-4-5-6-14-17-22-27(2)23-18-15-12-10-8-7-9-11-13-16-19-24-28(30)29-25-20-21-26-29/h27H,3-26H2,1-2H3.
What are the key properties of 15-methyl-1-pyrrolidin-1-yltricosan-1-one?
15-methyl-1-pyrrolidin-1-yltricosan-1-one has a molecular weight of 421.75 g/mol, XLogP of 9.07, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-1-pyrrolidin-1-yltricosan-1-one is sourced from PubChem (CID 86022778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).