1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C19H21N3O3 — CID 155914640

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccnc(CN2C(=O)C3(CCNC3)c3ccccc32)c1OC
InChIInChI=1S/C19H21N3O3/c1-24-16-7-9-21-14(17(16)25-2)11-22-15-6-4-3-5-13(15)19(18(22)23)8-10-20-12-19/h3-7,9,20H,8,10-12H2,1-2H3
InChIKeyHGAGLKNJPKWWGT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 155914640) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID155914640
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccnc(CN2C(=O)C3(CCNC3)c3ccccc32)c1OC
InChIInChI=1S/C19H21N3O3/c1-24-16-7-9-21-14(17(16)25-2)11-22-15-6-4-3-5-13(15)19(18(22)23)8-10-20-12-19/h3-7,9,20H,8,10-12H2,1-2H3
InChIKeyHGAGLKNJPKWWGT-UHFFFAOYSA-N
XLogP1.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 155914640) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is COc1ccnc(CN2C(=O)C3(CCNC3)c3ccccc32)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HGAGLKNJPKWWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-16-7-9-21-14(17(16)25-2)11-22-15-6-4-3-5-13(15)19(18(22)23)8-10-20-12-19/h3-7,9,20H,8,10-12H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 155914640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).