butyl 1-methylpyrrolidine-2-carboxylate

C10H19NO2 — CID 527835

IUPACbutyl 1-methylpyrrolidine-2-carboxylate
SMILESCCCCOC(=O)C1CCCN1C
InChIInChI=1S/C10H19NO2/c1-3-4-8-13-10(12)9-6-5-7-11(9)2/h9H,3-8H2,1-2H3
InChIKeyTXARCVDUIMCSNN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds4

About butyl 1-methylpyrrolidine-2-carboxylate

butyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 527835) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebutyl 1-methylpyrrolidine-2-carboxylate
PubChem CID527835
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutyl 1-methylpyrrolidine-2-carboxylate
SMILESCCCCOC(=O)C1CCCN1C
InChIInChI=1S/C10H19NO2/c1-3-4-8-13-10(12)9-6-5-7-11(9)2/h9H,3-8H2,1-2H3
InChIKeyTXARCVDUIMCSNN-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 butyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of butyl 1-methylpyrrolidine-2-carboxylate (CID 527835) is butyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for butyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for butyl 1-methylpyrrolidine-2-carboxylate is CCCCOC(=O)C1CCCN1C.
What is the InChIKey of butyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is TXARCVDUIMCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-8-13-10(12)9-6-5-7-11(9)2/h9H,3-8H2,1-2H3.
What are the key properties of butyl 1-methylpyrrolidine-2-carboxylate?
butyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 527835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).