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

C17H24N2O — CID 60947838

IUPAC2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)CNCC1CC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-10-19(16)17(20)12-18-11-14-8-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyWOAVPZDTJITUNR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.66
Rot. Bonds5

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

2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 60947838) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID60947838
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)CNCC1CC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-10-19(16)17(20)12-18-11-14-8-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyWOAVPZDTJITUNR-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 99785362
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 60947846
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
4-tert-butyl-N-[3-[2-(2-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 55888906
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
[1-(aminomethyl)cyclobutyl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 115448109
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 60947838) is 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1C1CCCN1C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WOAVPZDTJITUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)16-7-4-10-19(16)17(20)12-18-11-14-8-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 60947838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).