1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone

C17H24N2O — CID 119790957

IUPAC1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCC1CC(c2ccccc2)CN1C(=O)CC1CCCN1
InChIInChI=1S/C17H24N2O/c1-13-10-15(14-6-3-2-4-7-14)12-19(13)17(20)11-16-8-5-9-18-16/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyLPJUFGYCWXWUSN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone

1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 119790957) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID119790957
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCC1CC(c2ccccc2)CN1C(=O)CC1CCCN1
InChIInChI=1S/C17H24N2O/c1-13-10-15(14-6-3-2-4-7-14)12-19(13)17(20)11-16-8-5-9-18-16/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3
InChIKeyLPJUFGYCWXWUSN-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119793879
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
6-methyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-3-carboxamide
CID 61366636
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
1-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-pyrrolidin-2-ylethanone
CID 119738117
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone (CID 119790957) is 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone is CC1CC(c2ccccc2)CN1C(=O)CC1CCCN1.
What is the InChIKey of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is LPJUFGYCWXWUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-15(14-6-3-2-4-7-14)12-19(13)17(20)11-16-8-5-9-18-16/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3.
What are the key properties of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone?
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 272.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119790957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).