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

C15H21N3O2 — CID 63826182

IUPAC5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCOC1CCCC1)NC(=O)C2
InChIInChI=1S/C15H21N3O2/c16-12-7-10-8-15(19)18-13(10)9-14(12)17-5-6-20-11-3-1-2-4-11/h7,9,11,17H,1-6,8,16H2,(H,18,19)
InChIKeyVWUJKJGUIGWTFU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.13
Rot. Bonds5

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

5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one (PubChem CID 63826182) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
PubChem CID63826182
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCOC1CCCC1)NC(=O)C2
InChIInChI=1S/C15H21N3O2/c16-12-7-10-8-15(19)18-13(10)9-14(12)17-5-6-20-11-3-1-2-4-11/h7,9,11,17H,1-6,8,16H2,(H,18,19)
InChIKeyVWUJKJGUIGWTFU-UHFFFAOYSA-N
XLogP2.13
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-amino-6-[(2-hydroxycyclohexyl)amino]-1,3-dihydroindol-2-one
CID 62360148
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402
5-amino-6-[(2-ethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 61466876

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one (CID 63826182) is 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCCOC1CCCC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one?
The InChIKey is VWUJKJGUIGWTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-7-10-8-15(19)18-13(10)9-14(12)17-5-6-20-11-3-1-2-4-11/h7,9,11,17H,1-6,8,16H2,(H,18,19).
What are the key properties of 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one?
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63826182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).