1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one

C15H20N2O2 — CID 84758277

IUPAC1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
SMILESCCC(=O)c1ccc2c(c1)CC(=O)N2CCCCN
InChIInChI=1S/C15H20N2O2/c1-2-14(18)11-5-6-13-12(9-11)10-15(19)17(13)8-4-3-7-16/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyALRXYPRIUWIXHQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds6

About 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one

1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one (PubChem CID 84758277) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
PubChem CID84758277
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
SMILESCCC(=O)c1ccc2c(c1)CC(=O)N2CCCCN
InChIInChI=1S/C15H20N2O2/c1-2-14(18)11-5-6-13-12(9-11)10-15(19)17(13)8-4-3-7-16/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyALRXYPRIUWIXHQ-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
CID 115217029
5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
CID 53014656
1-(5-bromopentyl)-5-methyl-3H-indol-2-one
CID 57128924
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
CID 118343384

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one?
The IUPAC name of 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one (CID 84758277) is 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one.
What is the SMILES notation for 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one?
The canonical SMILES for 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one is CCC(=O)c1ccc2c(c1)CC(=O)N2CCCCN.
What is the InChIKey of 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one?
The InChIKey is ALRXYPRIUWIXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-14(18)11-5-6-13-12(9-11)10-15(19)17(13)8-4-3-7-16/h5-6,9H,2-4,7-8,10,16H2,1H3.
What are the key properties of 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one?
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one is sourced from PubChem (CID 84758277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).