1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone

C13H18N2O3 — CID 168593573

IUPAC1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O3/c1-9(17)15-5-4-10-6-11(2-3-13(10)15)14-7-12(18)8-16/h2-3,6,12,14,16,18H,4-5,7-8H2,1H3
InChIKeyMEQCIJKZECWQAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds4

About 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 168593573) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID168593573
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O3/c1-9(17)15-5-4-10-6-11(2-3-13(10)15)14-7-12(18)8-16/h2-3,6,12,14,16,18H,4-5,7-8H2,1H3
InChIKeyMEQCIJKZECWQAP-UHFFFAOYSA-N
XLogP0.36
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone (CID 168593573) is 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCC(O)CO)ccc21.
What is the InChIKey of 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MEQCIJKZECWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(17)15-5-4-10-6-11(2-3-13(10)15)14-7-12(18)8-16/h2-3,6,12,14,16,18H,4-5,7-8H2,1H3.
What are the key properties of 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 168593573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).