1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole

C16H20N2 — CID 130559023

IUPAC1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
SMILESCC1C(n2cccc2)CCN1Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-14-16(17-10-5-6-11-17)9-12-18(14)13-15-7-3-2-4-8-15/h2-8,10-11,14,16H,9,12-13H2,1H3
InChIKeyPFZAZKNLEZXBLA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.32
Rot. Bonds3

About 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole

1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole (PubChem CID 130559023) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
PubChem CID130559023
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
SMILESCC1C(n2cccc2)CCN1Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-14-16(17-10-5-6-11-17)9-12-18(14)13-15-7-3-2-4-8-15/h2-8,10-11,14,16H,9,12-13H2,1H3
InChIKeyPFZAZKNLEZXBLA-UHFFFAOYSA-N
XLogP3.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 166201846
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
CID 67792760
CID 67792760
(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1351332
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
1-benzyl-N-methylazetidin-2-amine
CID 57429452

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole?
The IUPAC name of 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole (CID 130559023) is 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole.
What is the SMILES notation for 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole?
The canonical SMILES for 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole is CC1C(n2cccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole?
The InChIKey is PFZAZKNLEZXBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-14-16(17-10-5-6-11-17)9-12-18(14)13-15-7-3-2-4-8-15/h2-8,10-11,14,16H,9,12-13H2,1H3.
What are the key properties of 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole?
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole has a molecular weight of 240.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole is sourced from PubChem (CID 130559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).