5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one

C13H18N2O3 — CID 115122100

IUPAC5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CNCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O3/c1-15-12-3-2-9(4-10(12)5-13(15)18)6-14-7-11(17)8-16/h2-4,11,14,16-17H,5-8H2,1H3
InChIKeyGIDLEWKXADXOFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.35
Rot. Bonds5

About 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one

5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one (PubChem CID 115122100) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
PubChem CID115122100
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CNCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O3/c1-15-12-3-2-9(4-10(12)5-13(15)18)6-14-7-11(17)8-16/h2-4,11,14,16-17H,5-8H2,1H3
InChIKeyGIDLEWKXADXOFV-UHFFFAOYSA-N
XLogP-0.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115196517
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
CID 116930762
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
CID 146105714
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82290693

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one (CID 115122100) is 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(CNCC(O)CO)ccc21.
What is the InChIKey of 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is GIDLEWKXADXOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-12-3-2-9(4-10(12)5-13(15)18)6-14-7-11(17)8-16/h2-4,11,14,16-17H,5-8H2,1H3.
What are the key properties of 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one?
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115122100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).