(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C13H15N3O3 — CID 106667079

IUPAC(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc2c(C(=O)N3CC(O)C(O)C3)c[nH]c2c1
InChIInChI=1S/C13H15N3O3/c14-7-1-2-8-9(4-15-10(8)3-7)13(19)16-5-11(17)12(18)6-16/h1-4,11-12,15,17-18H,5-6,14H2
InChIKeyTXOMTHWYSPANMC-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.07
Rot. Bonds1

About (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106667079) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106667079
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc2c(C(=O)N3CC(O)C(O)C3)c[nH]c2c1
InChIInChI=1S/C13H15N3O3/c14-7-1-2-8-9(4-15-10(8)3-7)13(19)16-5-11(17)12(18)6-16/h1-4,11-12,15,17-18H,5-6,14H2
InChIKeyTXOMTHWYSPANMC-UHFFFAOYSA-N
XLogP-0.07
TPSA102.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
CID 79664535
4-(6-amino-1H-indole-3-carbonyl)-1,4-diazepan-2-one
CID 65360926
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093708
4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-7-amino-2H-isoquinolin-1-one
CID 166390782
(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666987
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
CID 83012417
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813

Frequently Asked Questions

What is the IUPAC name of (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106667079) is (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is Nc1ccc2c(C(=O)N3CC(O)C(O)C3)c[nH]c2c1.
What is the InChIKey of (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is TXOMTHWYSPANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-7-1-2-8-9(4-15-10(8)3-7)13(19)16-5-11(17)12(18)6-16/h1-4,11-12,15,17-18H,5-6,14H2.
What are the key properties of (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 261.28 g/mol, XLogP of -0.07, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106667079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).