[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C20H23NO2 — CID 86852013

IUPAC[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCc1ccc(C2CCCN2C(=O)C2CC2c2ccco2)cc1C
InChIInChI=1S/C20H23NO2/c1-13-7-8-15(11-14(13)2)18-5-3-9-21(18)20(22)17-12-16(17)19-6-4-10-23-19/h4,6-8,10-11,16-18H,3,5,9,12H2,1-2H3
InChIKeyHWXNRQWRBKWAQO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.36
Rot. Bonds3

About [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 86852013) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID86852013
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCc1ccc(C2CCCN2C(=O)C2CC2c2ccco2)cc1C
InChIInChI=1S/C20H23NO2/c1-13-7-8-15(11-14(13)2)18-5-3-9-21(18)20(22)17-12-16(17)19-6-4-10-23-19/h4,6-8,10-11,16-18H,3,5,9,12H2,1-2H3
InChIKeyHWXNRQWRBKWAQO-UHFFFAOYSA-N
XLogP4.36
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820558
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 95588049
[2-(furan-2-yl)cyclopropyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 56820515
[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95589027
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 124816489
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 86852013) is [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is Cc1ccc(C2CCCN2C(=O)C2CC2c2ccco2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is HWXNRQWRBKWAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-7-8-15(11-14(13)2)18-5-3-9-21(18)20(22)17-12-16(17)19-6-4-10-23-19/h4,6-8,10-11,16-18H,3,5,9,12H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 86852013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).