11-methyl-1-pyrrolidin-1-yloctadecan-1-one

C23H45NO — CID 574714

IUPAC11-methyl-1-pyrrolidin-1-yloctadecan-1-one
SMILESCCCCCCCC(C)CCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C23H45NO/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-14-19-23(25)24-20-15-16-21-24/h22H,3-21H2,1-2H3
InChIKeyMOTDNNGJUQRFGC-UHFFFAOYSA-N
MW351.62 g/mol
LogP7.12
Rot. Bonds16

About 11-methyl-1-pyrrolidin-1-yloctadecan-1-one

11-methyl-1-pyrrolidin-1-yloctadecan-1-one (PubChem CID 574714) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 11-methyl-1-pyrrolidin-1-yloctadecan-1-one.

Molecular Properties

Compound Name11-methyl-1-pyrrolidin-1-yloctadecan-1-one
PubChem CID574714
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name11-methyl-1-pyrrolidin-1-yloctadecan-1-one
SMILESCCCCCCCC(C)CCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C23H45NO/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-14-19-23(25)24-20-15-16-21-24/h22H,3-21H2,1-2H3
InChIKeyMOTDNNGJUQRFGC-UHFFFAOYSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.12
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 11-methyl-1-pyrrolidin-1-yloctadecan-1-one?
The IUPAC name of 11-methyl-1-pyrrolidin-1-yloctadecan-1-one (CID 574714) is 11-methyl-1-pyrrolidin-1-yloctadecan-1-one.
What is the SMILES notation for 11-methyl-1-pyrrolidin-1-yloctadecan-1-one?
The canonical SMILES for 11-methyl-1-pyrrolidin-1-yloctadecan-1-one is CCCCCCCC(C)CCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 11-methyl-1-pyrrolidin-1-yloctadecan-1-one?
The InChIKey is MOTDNNGJUQRFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-14-19-23(25)24-20-15-16-21-24/h22H,3-21H2,1-2H3.
What are the key properties of 11-methyl-1-pyrrolidin-1-yloctadecan-1-one?
11-methyl-1-pyrrolidin-1-yloctadecan-1-one has a molecular weight of 351.62 g/mol, XLogP of 7.12, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1-pyrrolidin-1-yloctadecan-1-one is sourced from PubChem (CID 574714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).