1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone

C17H24N2O — CID 156604862

IUPAC1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-11-3-4-12(2)14(7-11)8-17(20)19-9-15(13-5-6-13)16(18)10-19/h3-4,7,13,15-16H,5-6,8-10,18H2,1-2H3
InChIKeyDIFWKRYTQAHRTC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone

1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 156604862) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID156604862
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-11-3-4-12(2)14(7-11)8-17(20)19-9-15(13-5-6-13)16(18)10-19/h3-4,7,13,15-16H,5-6,8-10,18H2,1-2H3
InChIKeyDIFWKRYTQAHRTC-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dimethylphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722057
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 102937921
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone;hydrochloride
CID 86777585
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819
1-[(3S,3aS,6aR)-3-(dimethylamino)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-2-(2,5-dimethylphenyl)ethanone;acetic acid
CID 155940812
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 62538822
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone
CID 103575896

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone (CID 156604862) is 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)N2CC(N)C(C3CC3)C2)c1.
What is the InChIKey of 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is DIFWKRYTQAHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-3-4-12(2)14(7-11)8-17(20)19-9-15(13-5-6-13)16(18)10-19/h3-4,7,13,15-16H,5-6,8-10,18H2,1-2H3.
What are the key properties of 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 156604862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).