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

C14H19N3O2 — CID 115186974

IUPAC5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
SMILESCCC(CN)C(=O)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-10(8-16)14(19)17-12-4-3-9(7-15)5-11(12)6-13(17)18/h3-5,10H,2,6-8,15-16H2,1H3
InChIKeyGDZCOJPOMRSIDF-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.55
Rot. Bonds4

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

5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one (PubChem CID 115186974) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
PubChem CID115186974
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
SMILESCCC(CN)C(=O)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-10(8-16)14(19)17-12-4-3-9(7-15)5-11(12)6-13(17)18/h3-5,10H,2,6-8,15-16H2,1H3
InChIKeyGDZCOJPOMRSIDF-UHFFFAOYSA-N
XLogP0.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one (CID 115186974) is 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one is CCC(CN)C(=O)N1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one?
The InChIKey is GDZCOJPOMRSIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-10(8-16)14(19)17-12-4-3-9(7-15)5-11(12)6-13(17)18/h3-5,10H,2,6-8,15-16H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one?
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one is sourced from PubChem (CID 115186974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).