7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one

C24H25NO6 — CID 26817511

IUPAC7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C24H25NO6/c1-15-11-24(27)31-22-13-17(6-8-18(15)22)30-14-23(26)25-10-4-5-20(25)19-12-16(28-2)7-9-21(19)29-3/h6-9,11-13,20H,4-5,10,14H2,1-3H3/t20-/m1/s1
InChIKeyYQOFBNHPZPBGAQ-HXUWFJFHSA-N
MW423.47 g/mol
LogP3.86
Rot. Bonds6

About 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one

7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one (PubChem CID 26817511) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
PubChem CID26817511
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C24H25NO6/c1-15-11-24(27)31-22-13-17(6-8-18(15)22)30-14-23(26)25-10-4-5-20(25)19-12-16(28-2)7-9-21(19)29-3/h6-9,11-13,20H,4-5,10,14H2,1-3H3/t20-/m1/s1
InChIKeyYQOFBNHPZPBGAQ-HXUWFJFHSA-N
XLogP3.86
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-iodophenoxy)ethanone
CID 55388722
[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492463
N-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 17470320
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 46636703
7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
CID 24627943
3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 9333293
1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 26818280
2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzaldehyde
CID 9009568
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9491852
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 8833523
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 9194213
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one (CID 26817511) is 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one is COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one?
The InChIKey is YQOFBNHPZPBGAQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25NO6/c1-15-11-24(27)31-22-13-17(6-8-18(15)22)30-14-23(26)25-10-4-5-20(25)19-12-16(28-2)7-9-21(19)29-3/h6-9,11-13,20H,4-5,10,14H2,1-3H3/t20-/m1/s1.
What are the key properties of 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one?
7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one has a molecular weight of 423.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 26817511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).