5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one

C12H17N3O — CID 43451662

IUPAC5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H17N3O/c1-3-7(2)14-11-6-10-8(4-9(11)13)5-12(16)15-10/h4,6-7,14H,3,5,13H2,1-2H3,(H,15,16)
InChIKeyOXXIHAGJZLCPGU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one

5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43451662) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43451662
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H17N3O/c1-3-7(2)14-11-6-10-8(4-9(11)13)5-12(16)15-10/h4,6-7,14H,3,5,13H2,1-2H3,(H,15,16)
InChIKeyOXXIHAGJZLCPGU-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
CID 61476410
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817
5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43451982
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one (CID 43451662) is 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one is CCC(C)Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is OXXIHAGJZLCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-7(2)14-11-6-10-8(4-9(11)13)5-12(16)15-10/h4,6-7,14H,3,5,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one?
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).