5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one

C14H19N3O2 — CID 115155708

IUPAC5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
SMILESCNCCCC(=O)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-16-6-2-3-13(18)17-12-5-4-10(9-15)7-11(12)8-14(17)19/h4-5,7,16H,2-3,6,8-9,15H2,1H3
InChIKeyONGTZJCHZRLNQO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.56
Rot. Bonds5

About 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one

5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one (PubChem CID 115155708) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
PubChem CID115155708
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
SMILESCNCCCC(=O)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-16-6-2-3-13(18)17-12-5-4-10(9-15)7-11(12)8-14(17)19/h4-5,7,16H,2-3,6,8-9,15H2,1H3
InChIKeyONGTZJCHZRLNQO-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
CID 115152987
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
CID 115139297
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
CID 115157885
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
CID 115154334
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
methyl 2-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]-2-methylpropanoate
CID 115128429
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one (CID 115155708) is 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one is CNCCCC(=O)N1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one?
The InChIKey is ONGTZJCHZRLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-6-2-3-13(18)17-12-5-4-10(9-15)7-11(12)8-14(17)19/h4-5,7,16H,2-3,6,8-9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one?
5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one is sourced from PubChem (CID 115155708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).