1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one

C17H26N2O — CID 65448727

IUPAC1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-11-17(20)19-13-12-14-15(18)9-8-10-16(14)19/h8-10H,2-7,11-13,18H2,1H3
InChIKeyHMINPDPFZRFNFP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.91
Rot. Bonds7

About 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one

1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one (PubChem CID 65448727) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
PubChem CID65448727
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-11-17(20)19-13-12-14-15(18)9-8-10-16(14)19/h8-10H,2-7,11-13,18H2,1H3
InChIKeyHMINPDPFZRFNFP-UHFFFAOYSA-N
XLogP3.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205691
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121179

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one?
The IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one (CID 65448727) is 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one.
What is the SMILES notation for 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one?
The canonical SMILES for 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one is CCCCCCCCC(=O)N1CCc2c(N)cccc21.
What is the InChIKey of 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one?
The InChIKey is HMINPDPFZRFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-4-5-6-7-11-17(20)19-13-12-14-15(18)9-8-10-16(14)19/h8-10H,2-7,11-13,18H2,1H3.
What are the key properties of 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one?
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one is sourced from PubChem (CID 65448727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).