2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C16H22N2O — CID 54872354

IUPAC2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)CNC1CC1
InChIInChI=1S/C16H22N2O/c1-12-5-2-3-6-14(12)15-7-4-10-18(15)16(19)11-17-13-8-9-13/h2-3,5-6,13,15,17H,4,7-11H2,1H3
InChIKeyWKGSEMAMADPEPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.41
Rot. Bonds4

About 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 54872354) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID54872354
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)CNC1CC1
InChIInChI=1S/C16H22N2O/c1-12-5-2-3-6-14(12)15-7-4-10-18(15)16(19)11-17-13-8-9-13/h2-3,5-6,13,15,17H,4,7-11H2,1H3
InChIKeyWKGSEMAMADPEPB-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 97007551
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 99785362
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
3-chloro-2-methyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 62727967

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 54872354) is 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1C1CCCN1C(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WKGSEMAMADPEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-2-3-6-14(12)15-7-4-10-18(15)16(19)11-17-13-8-9-13/h2-3,5-6,13,15,17H,4,7-11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 54872354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).