1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone

C18H24N2O2 — CID 92633130

IUPAC1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H24N2O2/c1-12-6-7-15(9-13(12)2)17-5-4-8-20(17)18(22)16-10-19(11-16)14(3)21/h6-7,9,16-17H,4-5,8,10-11H2,1-3H3/t17-/m1/s1
InChIKeyFRYCRCMPJXZDMT-QGZVFWFLSA-N
MW300.40 g/mol
LogP2.45
Rot. Bonds2

About 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone

1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone (PubChem CID 92633130) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
PubChem CID92633130
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H24N2O2/c1-12-6-7-15(9-13(12)2)17-5-4-8-20(17)18(22)16-10-19(11-16)14(3)21/h6-7,9,16-17H,4-5,8,10-11H2,1-3H3/t17-/m1/s1
InChIKeyFRYCRCMPJXZDMT-QGZVFWFLSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95585399
(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 95585392
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
CID 166143852
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 60589395
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95589027
1-[4-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92633620
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866441
(1R,2S,6S,7R)-4-[(2S)-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124869737

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone (CID 92633130) is 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone?
The InChIKey is FRYCRCMPJXZDMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-7-15(9-13(12)2)17-5-4-8-20(17)18(22)16-10-19(11-16)14(3)21/h6-7,9,16-17H,4-5,8,10-11H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone?
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone has a molecular weight of 300.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 92633130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).