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

C14H19N3O — CID 43383183

IUPAC5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCC1CCCC1)NC(=O)C2
InChIInChI=1S/C14H19N3O/c15-11-5-10-6-14(18)17-12(10)7-13(11)16-8-9-3-1-2-4-9/h5,7,9,16H,1-4,6,8,15H2,(H,17,18)
InChIKeyFIQQUAGTUOEJNP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds3

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

5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43383183) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43383183
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCC1CCCC1)NC(=O)C2
InChIInChI=1S/C14H19N3O/c15-11-5-10-6-14(18)17-12(10)7-13(11)16-8-9-3-1-2-4-9/h5,7,9,16H,1-4,6,8,15H2,(H,17,18)
InChIKeyFIQQUAGTUOEJNP-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
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-(cyclopentylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one (CID 43383183) is 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCC1CCCC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is FIQQUAGTUOEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-5-10-6-14(18)17-12(10)7-13(11)16-8-9-3-1-2-4-9/h5,7,9,16H,1-4,6,8,15H2,(H,17,18).
What are the key properties of 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one?
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).