1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one

C14H19N3O2 — CID 115154334

IUPAC1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
SMILESCC(N)CC(=O)N1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C14H19N3O2/c1-9(16)6-13(18)17-12-3-2-10(4-5-15)7-11(12)8-14(17)19/h2-3,7,9H,4-6,8,15-16H2,1H3
InChIKeyBLTPZGFYISCNKS-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.34
Rot. Bonds4

About 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one

1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one (PubChem CID 115154334) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
PubChem CID115154334
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
SMILESCC(N)CC(=O)N1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C14H19N3O2/c1-9(16)6-13(18)17-12-3-2-10(4-5-15)7-11(12)8-14(17)19/h2-3,7,9H,4-6,8,15-16H2,1H3
InChIKeyBLTPZGFYISCNKS-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one?
The IUPAC name of 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one (CID 115154334) is 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one?
The canonical SMILES for 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one is CC(N)CC(=O)N1C(=O)Cc2cc(CCN)ccc21.
What is the InChIKey of 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one?
The InChIKey is BLTPZGFYISCNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(16)6-13(18)17-12-3-2-10(4-5-15)7-11(12)8-14(17)19/h2-3,7,9H,4-6,8,15-16H2,1H3.
What are the key properties of 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one?
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one is sourced from PubChem (CID 115154334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).