5-amino-1-nonyl-3H-indol-2-one

C17H26N2O — CID 43446434

IUPAC5-amino-1-nonyl-3H-indol-2-one
SMILESCCCCCCCCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13,18H2,1H3
InChIKeyFVQPGSNGUBZKCB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.91
Rot. Bonds8

About 5-amino-1-nonyl-3H-indol-2-one

5-amino-1-nonyl-3H-indol-2-one (PubChem CID 43446434) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-amino-1-nonyl-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-nonyl-3H-indol-2-one
PubChem CID43446434
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-amino-1-nonyl-3H-indol-2-one
SMILESCCCCCCCCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13,18H2,1H3
InChIKeyFVQPGSNGUBZKCB-UHFFFAOYSA-N
XLogP3.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
CID 118343384
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(3,3,3-trifluoropropyl)-3H-indol-2-one
CID 64553558
6-amino-4-heptyl-1,4-benzoxazin-3-one
CID 43479486
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 61486326
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-nonyl-3H-indol-2-one?
The IUPAC name of 5-amino-1-nonyl-3H-indol-2-one (CID 43446434) is 5-amino-1-nonyl-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-nonyl-3H-indol-2-one?
The canonical SMILES for 5-amino-1-nonyl-3H-indol-2-one is CCCCCCCCCN1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-nonyl-3H-indol-2-one?
The InChIKey is FVQPGSNGUBZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13,18H2,1H3.
What are the key properties of 5-amino-1-nonyl-3H-indol-2-one?
5-amino-1-nonyl-3H-indol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-nonyl-3H-indol-2-one is sourced from PubChem (CID 43446434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).