6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one

C15H21N3O3 — CID 66054644

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(C)CC1CC(O)CN1c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C15H21N3O3/c1-17(2)7-10-5-11(19)8-18(10)9-3-4-12-13(6-9)16-15(21)14(12)20/h3-4,6,10-11,14,19-20H,5,7-8H2,1-2H3,(H,16,21)
InChIKeyRNBGHVUPGDNWEG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.17
Rot. Bonds3

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 66054644) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID66054644
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(C)CC1CC(O)CN1c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C15H21N3O3/c1-17(2)7-10-5-11(19)8-18(10)9-3-4-12-13(6-9)16-15(21)14(12)20/h3-4,6,10-11,14,19-20H,5,7-8H2,1-2H3,(H,16,21)
InChIKeyRNBGHVUPGDNWEG-UHFFFAOYSA-N
XLogP0.17
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one (CID 66054644) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one is CN(C)CC1CC(O)CN1c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is RNBGHVUPGDNWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)7-10-5-11(19)8-18(10)9-3-4-12-13(6-9)16-15(21)14(12)20/h3-4,6,10-11,14,19-20H,5,7-8H2,1-2H3,(H,16,21).
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 66054644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).