6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one

C15H21N3O2 — CID 81309665

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3CCC(N(C)C)C3)cc21
InChIInChI=1S/C15H21N3O2/c1-16(2)11-6-7-18(9-11)10-4-5-12-13(8-10)17(3)15(20)14(12)19/h4-5,8,11,14,19H,6-7,9H2,1-3H3
InChIKeyNIZKYWYFRWMMLC-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.84
Rot. Bonds2

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one

6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81309665) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81309665
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3CCC(N(C)C)C3)cc21
InChIInChI=1S/C15H21N3O2/c1-16(2)11-6-7-18(9-11)10-4-5-12-13(8-10)17(3)15(20)14(12)19/h4-5,8,11,14,19H,6-7,9H2,1-3H3
InChIKeyNIZKYWYFRWMMLC-UHFFFAOYSA-N
XLogP0.84
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
CID 81308553
3-hydroxy-1-methyl-6-[methyl-(1-methylpiperidin-4-yl)amino]-3H-indol-2-one
CID 81300300
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one
CID 81302367
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
CID 106836266
3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
CID 102959004
3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851
4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
CID 71154282
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1,2-benzothiazole-3-carboxylic acid
CID 66702570

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one (CID 81309665) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)C(O)c2ccc(N3CCC(N(C)C)C3)cc21.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is NIZKYWYFRWMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16(2)11-6-7-18(9-11)10-4-5-12-13(8-10)17(3)15(20)14(12)19/h4-5,8,11,14,19H,6-7,9H2,1-3H3.
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81309665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).