5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one

C14H19N3O2 — CID 114796921

IUPAC5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCC(CCO)C1)NC(=O)C2
InChIInChI=1S/C14H19N3O2/c15-11-5-10-6-14(19)16-12(10)7-13(11)17-3-1-9(8-17)2-4-18/h5,7,9,18H,1-4,6,8,15H2,(H,16,19)
InChIKeyHWLMFNGSMFXKQQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.97
Rot. Bonds3

About 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one

5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 114796921) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
PubChem CID114796921
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCC(CCO)C1)NC(=O)C2
InChIInChI=1S/C14H19N3O2/c15-11-5-10-6-14(19)16-12(10)7-13(11)17-3-1-9(8-17)2-4-18/h5,7,9,18H,1-4,6,8,15H2,(H,16,19)
InChIKeyHWLMFNGSMFXKQQ-UHFFFAOYSA-N
XLogP0.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 63973072
5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 61440898
5-amino-6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dihydroindol-2-one
CID 63150926
5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43383153
6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 102955536
5-amino-6-(2-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 83053519
2-amino-4-bromo-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 114278376
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
ethyl 3-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzoate
CID 114799438
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (CID 114796921) is 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is Nc1cc2c(cc1N1CCC(CCO)C1)NC(=O)C2.
What is the InChIKey of 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is HWLMFNGSMFXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-5-10-6-14(19)16-12(10)7-13(11)17-3-1-9(8-17)2-4-18/h5,7,9,18H,1-4,6,8,15H2,(H,16,19).
What are the key properties of 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 114796921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).