decyl pyrrolidine-2-carboxylate

C15H29NO2 — CID 19991649

IUPACdecyl pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCN1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-13-18-15(17)14-11-10-12-16-14/h14,16H,2-13H2,1H3
InChIKeyBSCMYCBPQZZMQS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds10

About decyl pyrrolidine-2-carboxylate

decyl pyrrolidine-2-carboxylate (PubChem CID 19991649) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is decyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedecyl pyrrolidine-2-carboxylate
PubChem CID19991649
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namedecyl pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCN1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-13-18-15(17)14-11-10-12-16-14/h14,16H,2-13H2,1H3
InChIKeyBSCMYCBPQZZMQS-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 decyl pyrrolidine-2-carboxylate?
The IUPAC name of decyl pyrrolidine-2-carboxylate (CID 19991649) is decyl pyrrolidine-2-carboxylate.
What is the SMILES notation for decyl pyrrolidine-2-carboxylate?
The canonical SMILES for decyl pyrrolidine-2-carboxylate is CCCCCCCCCCOC(=O)C1CCCN1.
What is the InChIKey of decyl pyrrolidine-2-carboxylate?
The InChIKey is BSCMYCBPQZZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-13-18-15(17)14-11-10-12-16-14/h14,16H,2-13H2,1H3.
What are the key properties of decyl pyrrolidine-2-carboxylate?
decyl pyrrolidine-2-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 19991649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).