1-(5-aminohexyl)-3H-indol-2-one

C14H20N2O — CID 114993593

IUPAC1-(5-aminohexyl)-3H-indol-2-one
SMILESCC(N)CCCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C14H20N2O/c1-11(15)6-4-5-9-16-13-8-3-2-7-12(13)10-14(16)17/h2-3,7-8,11H,4-6,9-10,15H2,1H3
InChIKeyMNLJEZWXRHQAGF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds5

About 1-(5-aminohexyl)-3H-indol-2-one

1-(5-aminohexyl)-3H-indol-2-one (PubChem CID 114993593) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(5-aminohexyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(5-aminohexyl)-3H-indol-2-one
PubChem CID114993593
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(5-aminohexyl)-3H-indol-2-one
SMILESCC(N)CCCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C14H20N2O/c1-11(15)6-4-5-9-16-13-8-3-2-7-12(13)10-14(16)17/h2-3,7-8,11H,4-6,9-10,15H2,1H3
InChIKeyMNLJEZWXRHQAGF-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
CID 118709739
1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
CID 115199281
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one
CID 18071013

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminohexyl)-3H-indol-2-one?
The IUPAC name of 1-(5-aminohexyl)-3H-indol-2-one (CID 114993593) is 1-(5-aminohexyl)-3H-indol-2-one.
What is the SMILES notation for 1-(5-aminohexyl)-3H-indol-2-one?
The canonical SMILES for 1-(5-aminohexyl)-3H-indol-2-one is CC(N)CCCCN1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(5-aminohexyl)-3H-indol-2-one?
The InChIKey is MNLJEZWXRHQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(15)6-4-5-9-16-13-8-3-2-7-12(13)10-14(16)17/h2-3,7-8,11H,4-6,9-10,15H2,1H3.
What are the key properties of 1-(5-aminohexyl)-3H-indol-2-one?
1-(5-aminohexyl)-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminohexyl)-3H-indol-2-one is sourced from PubChem (CID 114993593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).