1,5-bis(methylaminomethyl)-3H-indol-2-one

C12H17N3O — CID 115226998

IUPAC1,5-bis(methylaminomethyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CNC
InChIInChI=1S/C12H17N3O/c1-13-7-9-3-4-11-10(5-9)6-12(16)15(11)8-14-2/h3-5,13-14H,6-8H2,1-2H3
InChIKeyWPOXKAUJASXIHG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.47
Rot. Bonds4

About 1,5-bis(methylaminomethyl)-3H-indol-2-one

1,5-bis(methylaminomethyl)-3H-indol-2-one (PubChem CID 115226998) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,5-bis(methylaminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1,5-bis(methylaminomethyl)-3H-indol-2-one
PubChem CID115226998
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1,5-bis(methylaminomethyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CNC
InChIInChI=1S/C12H17N3O/c1-13-7-9-3-4-11-10(5-9)6-12(16)15(11)8-14-2/h3-5,13-14H,6-8H2,1-2H3
InChIKeyWPOXKAUJASXIHG-UHFFFAOYSA-N
XLogP0.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
4,6-bis(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115227034
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(methylaminomethyl)-3H-indol-2-one?
The IUPAC name of 1,5-bis(methylaminomethyl)-3H-indol-2-one (CID 115226998) is 1,5-bis(methylaminomethyl)-3H-indol-2-one.
What is the SMILES notation for 1,5-bis(methylaminomethyl)-3H-indol-2-one?
The canonical SMILES for 1,5-bis(methylaminomethyl)-3H-indol-2-one is CNCc1ccc2c(c1)CC(=O)N2CNC.
What is the InChIKey of 1,5-bis(methylaminomethyl)-3H-indol-2-one?
The InChIKey is WPOXKAUJASXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-7-9-3-4-11-10(5-9)6-12(16)15(11)8-14-2/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of 1,5-bis(methylaminomethyl)-3H-indol-2-one?
1,5-bis(methylaminomethyl)-3H-indol-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(methylaminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115226998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).