7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one

C12H16N2O3 — CID 171881489

IUPAC7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one
SMILESNCCC(O)C(O)c1cccc2c1NC(=O)C2
InChIInChI=1S/C12H16N2O3/c13-5-4-9(15)12(17)8-3-1-2-7-6-10(16)14-11(7)8/h1-3,9,12,15,17H,4-6,13H2,(H,14,16)
InChIKeyKZFQIPSBKWWNBJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.08
Rot. Bonds4

About 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one

7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one (PubChem CID 171881489) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one
PubChem CID171881489
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one
SMILESNCCC(O)C(O)c1cccc2c1NC(=O)C2
InChIInChI=1S/C12H16N2O3/c13-5-4-9(15)12(17)8-3-1-2-7-6-10(16)14-11(7)8/h1-3,9,12,15,17H,4-6,13H2,(H,14,16)
InChIKeyKZFQIPSBKWWNBJ-UHFFFAOYSA-N
XLogP-0.08
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
S-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-7-yl)propyl] ethanethioate
CID 170822166
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 117364721
7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282362
2-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171882384
2-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881130
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
CID 171880979
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-amino-3-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881717
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
5-(4-amino-1,2-dihydroxybutyl)-1H-pyrimidin-6-one
CID 171880720

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one (CID 171881489) is 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one is NCCC(O)C(O)c1cccc2c1NC(=O)C2.
What is the InChIKey of 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one?
The InChIKey is KZFQIPSBKWWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-5-4-9(15)12(17)8-3-1-2-7-6-10(16)14-11(7)8/h1-3,9,12,15,17H,4-6,13H2,(H,14,16).
What are the key properties of 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one?
7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 171881489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).