1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one

C17H24N3O4+ — CID 8833597

IUPAC1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCC[NH+]2CC(=O)N2CCNC2=O)c1
InChIInChI=1S/C17H23N3O4/c1-23-12-5-6-15(24-2)13(10-12)14-4-3-8-19(14)11-16(21)20-9-7-18-17(20)22/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)/p+1/t14-/m1/s1
InChIKeyAAGCWWANYFUVGH-CQSZACIVSA-O
MW334.40 g/mol
LogP-0.02
Rot. Bonds5

About 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one

1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one (PubChem CID 8833597) has the molecular formula C17H24N3O4+ and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one
PubChem CID8833597
Molecular FormulaC17H24N3O4+
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCC[NH+]2CC(=O)N2CCNC2=O)c1
InChIInChI=1S/C17H23N3O4/c1-23-12-5-6-15(24-2)13(10-12)14-4-3-8-19(14)11-16(21)20-9-7-18-17(20)22/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)/p+1/t14-/m1/s1
InChIKeyAAGCWWANYFUVGH-CQSZACIVSA-O
XLogP-0.02
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8832655
4-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8854456
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8832040
N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8832435
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8833397
N-(butylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8834075
2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione
CID 9285221
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 11933833
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8832363
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 8832470
N-[(3-chlorophenyl)methyl]-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8833785
1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11933997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one (CID 8833597) is 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one is COc1ccc(OC)c([C@H]2CCC[NH+]2CC(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is AAGCWWANYFUVGH-CQSZACIVSA-O. The full InChI is InChI=1S/C17H23N3O4/c1-23-12-5-6-15(24-2)13(10-12)14-4-3-8-19(14)11-16(21)20-9-7-18-17(20)22/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)/p+1/t14-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 334.40 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 8833597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).