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

C18H28N2O — CID 62221874

IUPAC5-amino-1-decyl-3H-indol-2-one
SMILESCCCCCCCCCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(19)13-15(17)14-18(20)21/h10-11,13H,2-9,12,14,19H2,1H3
InChIKeyXAVOLGHNFIQMGH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.30
Rot. Bonds9

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

5-amino-1-decyl-3H-indol-2-one (PubChem CID 62221874) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-amino-1-decyl-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-decyl-3H-indol-2-one
PubChem CID62221874
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-amino-1-decyl-3H-indol-2-one
SMILESCCCCCCCCCCN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(19)13-15(17)14-18(20)21/h10-11,13H,2-9,12,14,19H2,1H3
InChIKeyXAVOLGHNFIQMGH-UHFFFAOYSA-N
XLogP4.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-decyl-3H-indol-2-one?
The IUPAC name of 5-amino-1-decyl-3H-indol-2-one (CID 62221874) is 5-amino-1-decyl-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-decyl-3H-indol-2-one?
The canonical SMILES for 5-amino-1-decyl-3H-indol-2-one is CCCCCCCCCCN1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-decyl-3H-indol-2-one?
The InChIKey is XAVOLGHNFIQMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-8-9-12-20-17-11-10-16(19)13-15(17)14-18(20)21/h10-11,13H,2-9,12,14,19H2,1H3.
What are the key properties of 5-amino-1-decyl-3H-indol-2-one?
5-amino-1-decyl-3H-indol-2-one has a molecular weight of 288.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-decyl-3H-indol-2-one is sourced from PubChem (CID 62221874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).