1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one

C13H18N2O2 — CID 115002079

IUPAC1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(CCCO)c2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(14-2)13(17)15(12(9)10)7-4-8-16/h3,5-6,11,14,16H,4,7-8H2,1-2H3
InChIKeyZKBVRKJVRDKNDI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one

1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one (PubChem CID 115002079) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one
PubChem CID115002079
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(CCCO)c2c(C)cccc21
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(14-2)13(17)15(12(9)10)7-4-8-16/h3,5-6,11,14,16H,4,7-8H2,1-2H3
InChIKeyZKBVRKJVRDKNDI-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562
5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one
CID 114993549
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9179013
(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one
CID 167096419
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
3-amino-1-(3,3-dimethylbutyl)-7-methyl-3H-indol-2-one
CID 114997647
3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one
CID 114990109
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one (CID 115002079) is 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one is CNC1C(=O)N(CCCO)c2c(C)cccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one?
The InChIKey is ZKBVRKJVRDKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-3-6-10-11(14-2)13(17)15(12(9)10)7-4-8-16/h3,5-6,11,14,16H,4,7-8H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one?
1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 115002079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).