5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one

C12H17N3O — CID 117040206

IUPAC5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
SMILESCC(CCN)N1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-8(4-5-13)15-11-3-2-10(14)6-9(11)7-12(15)16/h2-3,6,8H,4-5,7,13-14H2,1H3
InChIKeyNQQIUIYJYISABV-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.90
Rot. Bonds3

About 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one

5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one (PubChem CID 117040206) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
PubChem CID117040206
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
SMILESCC(CCN)N1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-8(4-5-13)15-11-3-2-10(14)6-9(11)7-12(15)16/h2-3,6,8H,4-5,7,13-14H2,1H3
InChIKeyNQQIUIYJYISABV-UHFFFAOYSA-N
XLogP0.90
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one (CID 117040206) is 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one is CC(CCN)N1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one?
The InChIKey is NQQIUIYJYISABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(4-5-13)15-11-3-2-10(14)6-9(11)7-12(15)16/h2-3,6,8H,4-5,7,13-14H2,1H3.
What are the key properties of 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one?
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one is sourced from PubChem (CID 117040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).