(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one

C23H26N2O3 — CID 7345883

IUPAC(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one
SMILESCOc1ccc(CCN2C(=O)CC[C@@H]2c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H26N2O3/c1-24-15-18(17-6-4-5-7-19(17)24)20-9-11-23(26)25(20)13-12-16-8-10-21(27-2)22(14-16)28-3/h4-8,10,14-15,20H,9,11-13H2,1-3H3/t20-/m1/s1
InChIKeyYWFGNGZKIQAMNI-HXUWFJFHSA-N
MW378.47 g/mol
LogP4.10
Rot. Bonds6

About (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one

(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one (PubChem CID 7345883) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one
PubChem CID7345883
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one
SMILESCOc1ccc(CCN2C(=O)CC[C@@H]2c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H26N2O3/c1-24-15-18(17-6-4-5-7-19(17)24)20-9-11-23(26)25(20)13-12-16-8-10-21(27-2)22(14-16)28-3/h4-8,10,14-15,20H,9,11-13H2,1-3H3/t20-/m1/s1
InChIKeyYWFGNGZKIQAMNI-HXUWFJFHSA-N
XLogP4.10
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one (CID 7345883) is (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one is COc1ccc(CCN2C(=O)CC[C@@H]2c2cn(C)c3ccccc23)cc1OC.
What is the InChIKey of (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one?
The InChIKey is YWFGNGZKIQAMNI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-15-18(17-6-4-5-7-19(17)24)20-9-11-23(26)25(20)13-12-16-8-10-21(27-2)22(14-16)28-3/h4-8,10,14-15,20H,9,11-13H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one?
(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 7345883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).