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

C14H18N2O2 — CID 66323000

IUPAC5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1OCC1CCCC1)NC(=O)C2
InChIInChI=1S/C14H18N2O2/c15-11-5-10-6-14(17)16-12(10)7-13(11)18-8-9-3-1-2-4-9/h5,7,9H,1-4,6,8,15H2,(H,16,17)
InChIKeyBFRNGDAXYDEJHZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds3

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

5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one (PubChem CID 66323000) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
PubChem CID66323000
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1OCC1CCCC1)NC(=O)C2
InChIInChI=1S/C14H18N2O2/c15-11-5-10-6-14(17)16-12(10)7-13(11)18-8-9-3-1-2-4-9/h5,7,9H,1-4,6,8,15H2,(H,16,17)
InChIKeyBFRNGDAXYDEJHZ-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
5-amino-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 63973072
6-amino-7-(2-cyclopropylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106199650
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
CID 64730371
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 61440898
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
CID 43451950
7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449973

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one (CID 66323000) is 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one is Nc1cc2c(cc1OCC1CCCC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one?
The InChIKey is BFRNGDAXYDEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-11-5-10-6-14(17)16-12(10)7-13(11)18-8-9-3-1-2-4-9/h5,7,9H,1-4,6,8,15H2,(H,16,17).
What are the key properties of 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one?
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 66323000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).