(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one

C21H30N2O3 — CID 24905697

IUPAC(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one
SMILESCC[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)N1N1CCC[C@H]1COC
InChIInChI=1S/C21H30N2O3/c1-3-20(26-15-17-9-5-4-6-10-17)19-12-7-13-21(24)23(19)22-14-8-11-18(22)16-25-2/h4-7,9-10,13,18-20H,3,8,11-12,14-16H2,1-2H3/t18-,19+,20+/m0/s1
InChIKeyCRNIMPPWDHVXIR-XUVXKRRUSA-N
MW358.48 g/mol
LogP3.16
Rot. Bonds8

About (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one

(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one (PubChem CID 24905697) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one
PubChem CID24905697
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one
SMILESCC[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)N1N1CCC[C@H]1COC
InChIInChI=1S/C21H30N2O3/c1-3-20(26-15-17-9-5-4-6-10-17)19-12-7-13-21(24)23(19)22-14-8-11-18(22)16-25-2/h4-7,9-10,13,18-20H,3,8,11-12,14-16H2,1-2H3/t18-,19+,20+/m0/s1
InChIKeyCRNIMPPWDHVXIR-XUVXKRRUSA-N
XLogP3.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-[(4S,5R)-4-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-phenylprop-2-en-1-one
CID 11278748
1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidine-2,6-dione
CID 10902727
6-hydroxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
CID 134877097
N-Crotonyl-(4R,5S)-4-methyl 5-phenyl-2-oxazolidinone
CID 12992306
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22051069
(Z)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]but-2-en-1-one
CID 171536944
(E)-4-methoxy-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]but-2-en-1-one
CID 171536956
(E)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]but-2-en-1-one
CID 174332157
(E)-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]but-2-en-1-one
CID 174332417
(Z)-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]but-2-en-1-one
CID 174332727
(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione
CID 155811869
4-Methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 13296279

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one?
The IUPAC name of (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one (CID 24905697) is (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one is CC[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)N1N1CCC[C@H]1COC.
What is the InChIKey of (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one?
The InChIKey is CRNIMPPWDHVXIR-XUVXKRRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-20(26-15-17-9-5-4-6-10-17)19-12-7-13-21(24)23(19)22-14-8-11-18(22)16-25-2/h4-7,9-10,13,18-20H,3,8,11-12,14-16H2,1-2H3/t18-,19+,20+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one?
(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one has a molecular weight of 358.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(1R)-1-phenylmethoxypropyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 24905697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).