1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one

C30H58N2O2 — CID 70434941

IUPAC1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC1.CCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C16H31NO.C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17;1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h2-15H2,1H3;2-13H2,1H3
InChIKeyODYADBPWHNOQQB-UHFFFAOYSA-N
MW478.81 g/mol
LogP8.28
Rot. Bonds18

About 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one

1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one (PubChem CID 70434941) has the molecular formula C30H58N2O2 and a molecular weight of 478.81 g/mol. Its IUPAC name is 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one
PubChem CID70434941
Molecular FormulaC30H58N2O2
Molecular Weight478.81 g/mol
Exact Mass478.45
IUPAC Name1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC1.CCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C16H31NO.C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17;1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h2-15H2,1H3;2-13H2,1H3
InChIKeyODYADBPWHNOQQB-UHFFFAOYSA-N
XLogP8.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one?
The IUPAC name of 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one (CID 70434941) is 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one is CCCCCCCCCC(=O)N1CCCC1.CCCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one?
The InChIKey is ODYADBPWHNOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17;1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h2-15H2,1H3;2-13H2,1H3.
What are the key properties of 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one?
1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one has a molecular weight of 478.81 g/mol, XLogP of 8.28, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yldecan-1-one;1-pyrrolidin-1-yldodecan-1-one is sourced from PubChem (CID 70434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).