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

C11H13N3O — CID 43451663

IUPAC5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NC1CC1)NC(=O)C2
InChIInChI=1S/C11H13N3O/c12-8-3-6-4-11(15)14-9(6)5-10(8)13-7-1-2-7/h3,5,7,13H,1-2,4,12H2,(H,14,15)
InChIKeyWMRQGMRSLHGJBU-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds2

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

5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one (PubChem CID 43451663) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
PubChem CID43451663
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NC1CC1)NC(=O)C2
InChIInChI=1S/C11H13N3O/c12-8-3-6-4-11(15)14-9(6)5-10(8)13-7-1-2-7/h3,5,7,13H,1-2,4,12H2,(H,14,15)
InChIKeyWMRQGMRSLHGJBU-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
H-Bond Donors ≤ 53
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-6-(cyclopropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one (CID 43451663) is 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NC1CC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one?
The InChIKey is WMRQGMRSLHGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-3-6-4-11(15)14-9(6)5-10(8)13-7-1-2-7/h3,5,7,13H,1-2,4,12H2,(H,14,15).
What are the key properties of 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one?
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).