1-(aminomethyl)-5-(methylamino)-3H-indol-2-one

C10H13N3O — CID 115225548

IUPAC1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2CN
InChIInChI=1S/C10H13N3O/c1-12-8-2-3-9-7(4-8)5-10(14)13(9)6-11/h2-4,12H,5-6,11H2,1H3
InChIKeyNTDOXSBKNVXXRE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.53
Rot. Bonds2

About 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one

1-(aminomethyl)-5-(methylamino)-3H-indol-2-one (PubChem CID 115225548) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
PubChem CID115225548
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
SMILESCNc1ccc2c(c1)CC(=O)N2CN
InChIInChI=1S/C10H13N3O/c1-12-8-2-3-9-7(4-8)5-10(14)13(9)6-11/h2-4,12H,5-6,11H2,1H3
InChIKeyNTDOXSBKNVXXRE-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
CID 115243978
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
CID 117041354

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one (CID 115225548) is 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one is CNc1ccc2c(c1)CC(=O)N2CN.
What is the InChIKey of 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one?
The InChIKey is NTDOXSBKNVXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-8-2-3-9-7(4-8)5-10(14)13(9)6-11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one?
1-(aminomethyl)-5-(methylamino)-3H-indol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 115225548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).