3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole

C13H22N2 — CID 71188059

IUPAC3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole
SMILESCCCCc1ccn(C[C@@H]2CCCN2)c1
InChIInChI=1S/C13H22N2/c1-2-3-5-12-7-9-15(10-12)11-13-6-4-8-14-13/h7,9-10,13-14H,2-6,8,11H2,1H3/t13-/m0/s1
InChIKeyVWYNFVCOSDEKCT-ZDUSSCGKSA-N
MW206.33 g/mol
LogP2.58
Rot. Bonds5

About 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole

3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole (PubChem CID 71188059) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole.

Molecular Properties

Compound Name3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole
PubChem CID71188059
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole
SMILESCCCCc1ccn(C[C@@H]2CCCN2)c1
InChIInChI=1S/C13H22N2/c1-2-3-5-12-7-9-15(10-12)11-13-6-4-8-14-13/h7,9-10,13-14H,2-6,8,11H2,1H3/t13-/m0/s1
InChIKeyVWYNFVCOSDEKCT-ZDUSSCGKSA-N
XLogP2.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
(2S)-2-hexylpyrrolidine
CID 7047826
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
2-chloro-4-octylphenol;pyrrolidin-2-ylmethanol
CID 143734026
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
2-(4-butylphenyl)azetidine
CID 55273387
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
CID 114426186

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole?
The IUPAC name of 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole (CID 71188059) is 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole.
What is the SMILES notation for 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole?
The canonical SMILES for 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole is CCCCc1ccn(C[C@@H]2CCCN2)c1.
What is the InChIKey of 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole?
The InChIKey is VWYNFVCOSDEKCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-5-12-7-9-15(10-12)11-13-6-4-8-14-13/h7,9-10,13-14H,2-6,8,11H2,1H3/t13-/m0/s1.
What are the key properties of 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole?
3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole has a molecular weight of 206.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole is sourced from PubChem (CID 71188059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).