(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one

C17H24N2O2 — CID 44565106

IUPAC(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2C[C@H](CN3CCCC3)C(=O)N2C)c1
InChIInChI=1S/C17H24N2O2/c1-18-16(13-6-5-7-15(10-13)21-2)11-14(17(18)20)12-19-8-3-4-9-19/h5-7,10,14,16H,3-4,8-9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyIULRNZWLOAZXHU-ZBFHGGJFSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds4

About (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one

(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 44565106) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID44565106
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2C[C@H](CN3CCCC3)C(=O)N2C)c1
InChIInChI=1S/C17H24N2O2/c1-18-16(13-6-5-7-15(10-13)21-2)11-14(17(18)20)12-19-8-3-4-9-19/h5-7,10,14,16H,3-4,8-9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyIULRNZWLOAZXHU-ZBFHGGJFSA-N
XLogP2.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817
(E)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylbut-2-en-1-one
CID 166318709
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
(3R,5S)-1-methyl-5-[(E)-2-phenylethenyl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 86613732
5-ethynyl-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 141126900
3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792761
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
(3S,5R)-5-[5-(2-chlorophenyl)thiophen-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one;hydrochloride
CID 68529938
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-(3-methoxyphenyl)-1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole
CID 10753792

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one (CID 44565106) is (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one is COc1cccc([C@@H]2C[C@H](CN3CCCC3)C(=O)N2C)c1.
What is the InChIKey of (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is IULRNZWLOAZXHU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-16(13-6-5-7-15(10-13)21-2)11-14(17(18)20)12-19-8-3-4-9-19/h5-7,10,14,16H,3-4,8-9,11-12H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one?
(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44565106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).