(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone

C16H22N2O — CID 119337174

IUPAC(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
SMILESCC1(c2ccccc2)CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C16H22N2O/c1-16(13-6-3-2-4-7-13)9-11-18(12-16)15(19)14-8-5-10-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeySRBCMQFRKXSHMZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.93
Rot. Bonds2

About (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone

(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone (PubChem CID 119337174) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
PubChem CID119337174
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
SMILESCC1(c2ccccc2)CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C16H22N2O/c1-16(13-6-3-2-4-7-13)9-11-18(12-16)15(19)14-8-5-10-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeySRBCMQFRKXSHMZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone (CID 119337174) is (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone is CC1(c2ccccc2)CCN(C(=O)C2CCCN2)C1.
What is the InChIKey of (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is SRBCMQFRKXSHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(13-6-3-2-4-7-13)9-11-18(12-16)15(19)14-8-5-10-17-14/h2-4,6-7,14,17H,5,8-12H2,1H3.
What are the key properties of (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone?
(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119337174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).