[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone

C18H26N2O — CID 71927956

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CC(C)C(N(C)C)C3)CC2)c1
InChIInChI=1S/C18H26N2O/c1-13-6-5-7-15(10-13)18(8-9-18)17(21)20-11-14(2)16(12-20)19(3)4/h5-7,10,14,16H,8-9,11-12H2,1-4H3
InChIKeyJFMBXIGWYFHGHM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.44
Rot. Bonds3

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (PubChem CID 71927956) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
PubChem CID71927956
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CC(C)C(N(C)C)C3)CC2)c1
InChIInChI=1S/C18H26N2O/c1-13-6-5-7-15(10-13)18(8-9-18)17(21)20-11-14(2)16(12-20)19(3)4/h5-7,10,14,16H,8-9,11-12H2,1-4H3
InChIKeyJFMBXIGWYFHGHM-UHFFFAOYSA-N
XLogP2.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
4-[1-(3-methylphenyl)cyclobutanecarbonyl]-1,4-diazepan-2-one
CID 62897383
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (CID 71927956) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is Cc1cccc(C2(C(=O)N3CC(C)C(N(C)C)C3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The InChIKey is JFMBXIGWYFHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-5-7-15(10-13)18(8-9-18)17(21)20-11-14(2)16(12-20)19(3)4/h5-7,10,14,16H,8-9,11-12H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 71927956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).