1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one

C17H25NO2 — CID 95295911

IUPAC1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCc1ccccc1[C@H]1CCN(C(=O)CCOC(C)C)C1
InChIInChI=1S/C17H25NO2/c1-13(2)20-11-9-17(19)18-10-8-15(12-18)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyIAZMCDOJVNFLQM-HNNXBMFYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds5

About 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one

1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 95295911) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID95295911
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCc1ccccc1[C@H]1CCN(C(=O)CCOC(C)C)C1
InChIInChI=1S/C17H25NO2/c1-13(2)20-11-9-17(19)18-10-8-15(12-18)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyIAZMCDOJVNFLQM-HNNXBMFYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
4-ethoxy-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 94821461
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
(3S)-3-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 95596938
3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one
CID 86787734
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one (CID 95295911) is 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one is Cc1ccccc1[C@H]1CCN(C(=O)CCOC(C)C)C1.
What is the InChIKey of 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is IAZMCDOJVNFLQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)20-11-9-17(19)18-10-8-15(12-18)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 95295911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).