2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole

C14H23N3 — CID 126508728

IUPAC2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole
SMILESc1cc(CN2CCCC2)n(CC2CCCN2)c1
InChIInChI=1S/C14H23N3/c1-2-9-16(8-1)12-14-6-4-10-17(14)11-13-5-3-7-15-13/h4,6,10,13,15H,1-3,5,7-9,11-12H2
InChIKeyMEAJVSBPJCQXSZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.84
Rot. Bonds4

About 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole

2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole (PubChem CID 126508728) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole
PubChem CID126508728
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole
SMILESc1cc(CN2CCCC2)n(CC2CCCN2)c1
InChIInChI=1S/C14H23N3/c1-2-9-16(8-1)12-14-6-4-10-17(14)11-13-5-3-7-15-13/h4,6,10,13,15H,1-3,5,7-9,11-12H2
InChIKeyMEAJVSBPJCQXSZ-UHFFFAOYSA-N
XLogP1.84
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
CID 117443093
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole (CID 126508728) is 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole is c1cc(CN2CCCC2)n(CC2CCCN2)c1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole?
The InChIKey is MEAJVSBPJCQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-9-16(8-1)12-14-6-4-10-17(14)11-13-5-3-7-15-13/h4,6,10,13,15H,1-3,5,7-9,11-12H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole?
2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole has a molecular weight of 233.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-1-(pyrrolidin-2-ylmethyl)pyrrole is sourced from PubChem (CID 126508728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).