[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone

C18H25N3O3 — CID 56900158

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)(CN(C)C)C2)c2cc(O)ccc2n1C
InChIInChI=1S/C18H25N3O3/c1-12-16(14-9-13(22)5-6-15(14)20(12)4)17(23)21-8-7-18(24,11-21)10-19(2)3/h5-6,9,22,24H,7-8,10-11H2,1-4H3
InChIKeyXEZTVUFRWOGGPM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.33
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone (PubChem CID 56900158) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
PubChem CID56900158
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)(CN(C)C)C2)c2cc(O)ccc2n1C
InChIInChI=1S/C18H25N3O3/c1-12-16(14-9-13(22)5-6-15(14)20(12)4)17(23)21-8-7-18(24,11-21)10-19(2)3/h5-6,9,22,24H,7-8,10-11H2,1-4H3
InChIKeyXEZTVUFRWOGGPM-UHFFFAOYSA-N
XLogP1.33
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone (CID 56900158) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone is Cc1c(C(=O)N2CCC(O)(CN(C)C)C2)c2cc(O)ccc2n1C.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The InChIKey is XEZTVUFRWOGGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-16(14-9-13(22)5-6-15(14)20(12)4)17(23)21-8-7-18(24,11-21)10-19(2)3/h5-6,9,22,24H,7-8,10-11H2,1-4H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone is sourced from PubChem (CID 56900158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).