(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C15H24N2 — CID 141126802

IUPAC(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC1=CC(N2CCC[C@H]2CN2CCCC2)=CCC1
InChIInChI=1S/C15H24N2/c1-2-7-14(8-3-1)17-12-6-9-15(17)13-16-10-4-5-11-16/h2,7-8,15H,1,3-6,9-13H2/t15-/m0/s1
InChIKeyLEFYVZBYCWGSGE-HNNXBMFYSA-N
MW232.37 g/mol
LogP2.78
Rot. Bonds3

About (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 141126802) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID141126802
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC1=CC(N2CCC[C@H]2CN2CCCC2)=CCC1
InChIInChI=1S/C15H24N2/c1-2-7-14(8-3-1)17-12-6-9-15(17)13-16-10-4-5-11-16/h2,7-8,15H,1,3-6,9-13H2/t15-/m0/s1
InChIKeyLEFYVZBYCWGSGE-HNNXBMFYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Pyrrolidin-1-ylcyclopent-2-en-1-yl)pyrrolidine
CID 14315936
(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine
CID 71172945
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
1-[(1S)-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]pyrrolidine
CID 135086292
7-Pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275033
7-Pyrrolidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989170
1-(4-Pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 13003750
1-Cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine
CID 22733830
1-(2-Pyrrolidin-1-ylcyclohept-2-en-1-yl)pyrrolidine
CID 140347966
1-Cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine
CID 141053442
(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141079612
(3R)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141086222

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 141126802) is (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is C1=CC(N2CCC[C@H]2CN2CCCC2)=CCC1.
What is the InChIKey of (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is LEFYVZBYCWGSGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-7-14(8-3-1)17-12-6-9-15(17)13-16-10-4-5-11-16/h2,7-8,15H,1,3-6,9-13H2/t15-/m0/s1.
What are the key properties of (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 232.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 141126802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).