butyl 3-methylpyrrolidine-3-carboxylate

C10H19NO2 — CID 63145158

IUPACbutyl 3-methylpyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO2/c1-3-4-7-13-9(12)10(2)5-6-11-8-10/h11H,3-8H2,1-2H3
InChIKeyRFJCAJGMZLSNGD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About butyl 3-methylpyrrolidine-3-carboxylate

butyl 3-methylpyrrolidine-3-carboxylate (PubChem CID 63145158) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butyl 3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 3-methylpyrrolidine-3-carboxylate
PubChem CID63145158
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutyl 3-methylpyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO2/c1-3-4-7-13-9(12)10(2)5-6-11-8-10/h11H,3-8H2,1-2H3
InChIKeyRFJCAJGMZLSNGD-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
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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Related Compounds

propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
butyl 3-methylazetidine-3-carboxylate
CID 174909685
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 115737915
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
1-(4-methylpiperidin-4-yl)pentan-1-one
CID 116567515
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356

Frequently Asked Questions

What is the IUPAC name of butyl 3-methylpyrrolidine-3-carboxylate?
The IUPAC name of butyl 3-methylpyrrolidine-3-carboxylate (CID 63145158) is butyl 3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for butyl 3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for butyl 3-methylpyrrolidine-3-carboxylate is CCCCOC(=O)C1(C)CCNC1.
What is the InChIKey of butyl 3-methylpyrrolidine-3-carboxylate?
The InChIKey is RFJCAJGMZLSNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-7-13-9(12)10(2)5-6-11-8-10/h11H,3-8H2,1-2H3.
What are the key properties of butyl 3-methylpyrrolidine-3-carboxylate?
butyl 3-methylpyrrolidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 63145158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).