1-methylpyrrolidine

C5H11N — CID 8454

IUPAC1-methylpyrrolidine
SMILESCN1CCCC1
InChIInChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKeyAVFZOVWCLRSYKC-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.71
Rot. Bonds

About 1-methylpyrrolidine

1-methylpyrrolidine (PubChem CID 8454) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylpyrrolidine
PubChem CID8454
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name1-methylpyrrolidine
SMILESCN1CCCC1
InChIInChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKeyAVFZOVWCLRSYKC-UHFFFAOYSA-N
XLogP0.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butylpyrrolidine
CID 69843
1-Butyl-1-methylpyrrolidinium chloride
CID 11769095
1-Methyl-1-propylpyrrolidinium iodide
CID 12059922
1-Ethyl-1-methylpyrrolidinium bromide
CID 112264
Dimethylpyrrolidinium iodide
CID 200181
1-Butyl-1-methylpyrrolidinium bromide
CID 11009532
1-Methyl-1-propylpyrrolidinium chloride
CID 60196394
1-Butyl-1-methylpyrrolidinium iodide
CID 11076461
1-Ethylpyrrolidine
CID 81782
Pyrrolidine, 1-propyl-
CID 522490
1-Ethyl-1-methylpyrrolidinium iodide
CID 12059921
Pyrrolidine, 1-methyl-, 1-oxide
CID 10080339

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine?
The IUPAC name of 1-methylpyrrolidine (CID 8454) is 1-methylpyrrolidine.
What is the SMILES notation for 1-methylpyrrolidine?
The canonical SMILES for 1-methylpyrrolidine is CN1CCCC1.
What is the InChIKey of 1-methylpyrrolidine?
The InChIKey is AVFZOVWCLRSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3.
What are the key properties of 1-methylpyrrolidine?
1-methylpyrrolidine has a molecular weight of 85.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine is sourced from PubChem (CID 8454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).