5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one

C16H22N2O — CID 98016927

IUPAC5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCNC3CCCC3)ccc2N1
InChIInChI=1S/C16H22N2O/c19-16-11-13-10-12(7-8-15(13)18-16)4-3-9-17-14-5-1-2-6-14/h7-8,10,14,17H,1-6,9,11H2,(H,18,19)
InChIKeyIZIQJDBDLKSRGS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.65
Rot. Bonds5

About 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one

5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one (PubChem CID 98016927) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
PubChem CID98016927
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCNC3CCCC3)ccc2N1
InChIInChI=1S/C16H22N2O/c19-16-11-13-10-12(7-8-15(13)18-16)4-3-9-17-14-5-1-2-6-14/h7-8,10,14,17H,1-6,9,11H2,(H,18,19)
InChIKeyIZIQJDBDLKSRGS-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one (CID 98016927) is 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCCNC3CCCC3)ccc2N1.
What is the InChIKey of 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one?
The InChIKey is IZIQJDBDLKSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-11-13-10-12(7-8-15(13)18-16)4-3-9-17-14-5-1-2-6-14/h7-8,10,14,17H,1-6,9,11H2,(H,18,19).
What are the key properties of 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one?
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 98016927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).