[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C17H24N2O — CID 119800987

IUPAC[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1cccc(C2CCCN2C(=O)C2CCNC2)c1C
InChIInChI=1S/C17H24N2O/c1-12-5-3-6-15(13(12)2)16-7-4-10-19(16)17(20)14-8-9-18-11-14/h3,5-6,14,16,18H,4,7-11H2,1-2H3
InChIKeyJGOPQGXPXJQADZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.58
Rot. Bonds2

About [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119800987) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119800987
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1cccc(C2CCCN2C(=O)C2CCNC2)c1C
InChIInChI=1S/C17H24N2O/c1-12-5-3-6-15(13(12)2)16-7-4-10-19(16)17(20)14-8-9-18-11-14/h3,5-6,14,16,18H,4,7-11H2,1-2H3
InChIKeyJGOPQGXPXJQADZ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
(3,5-dimethylphenyl)-[7-(2,3-dimethylphenyl)-1,4-diazepan-1-yl]methanone
CID 54013186
[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765016
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119800987) is [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is Cc1cccc(C2CCCN2C(=O)C2CCNC2)c1C.
What is the InChIKey of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is JGOPQGXPXJQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-5-3-6-15(13(12)2)16-7-4-10-19(16)17(20)14-8-9-18-11-14/h3,5-6,14,16,18H,4,7-11H2,1-2H3.
What are the key properties of [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119800987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).