5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one

C17H26N2O2 — CID 82013930

IUPAC5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)CCC(C)CN)c1
InChIInChI=1S/C17H26N2O2/c1-13(12-18)8-9-17(20)19-10-4-7-16(19)14-5-3-6-15(11-14)21-2/h3,5-6,11,13,16H,4,7-10,12,18H2,1-2H3
InChIKeyCSNJBSBFUGRLTR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds6

About 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one

5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one (PubChem CID 82013930) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
PubChem CID82013930
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)CCC(C)CN)c1
InChIInChI=1S/C17H26N2O2/c1-13(12-18)8-9-17(20)19-10-4-7-16(19)14-5-3-6-15(11-14)21-2/h3,5-6,11,13,16H,4,7-10,12,18H2,1-2H3
InChIKeyCSNJBSBFUGRLTR-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2-(2,6-dimethylheptan-4-yloxy)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176965602
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-[[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 94454003
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 60938999
2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60939455
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 70782142

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one (CID 82013930) is 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one is COc1cccc(C2CCCN2C(=O)CCC(C)CN)c1.
What is the InChIKey of 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The InChIKey is CSNJBSBFUGRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(12-18)8-9-17(20)19-10-4-7-16(19)14-5-3-6-15(11-14)21-2/h3,5-6,11,13,16H,4,7-10,12,18H2,1-2H3.
What are the key properties of 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 82013930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).