1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone

C17H24N2O — CID 114458473

IUPAC1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
SMILESNc1cccc2c1N(C(=O)CC1CCCCCC1)CC2
InChIInChI=1S/C17H24N2O/c18-15-9-5-8-14-10-11-19(17(14)15)16(20)12-13-6-3-1-2-4-7-13/h5,8-9,13H,1-4,6-7,10-12,18H2
InChIKeyVYUGYTPMZAJCIS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds2

About 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone

1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone (PubChem CID 114458473) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone.

Molecular Properties

Compound Name1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
PubChem CID114458473
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
SMILESNc1cccc2c1N(C(=O)CC1CCCCCC1)CC2
InChIInChI=1S/C17H24N2O/c18-15-9-5-8-14-10-11-19(17(14)15)16(20)12-13-6-3-1-2-4-7-13/h5,8-9,13H,1-4,6-7,10-12,18H2
InChIKeyVYUGYTPMZAJCIS-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone?
The IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone (CID 114458473) is 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone.
What is the SMILES notation for 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone?
The canonical SMILES for 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone is Nc1cccc2c1N(C(=O)CC1CCCCCC1)CC2.
What is the InChIKey of 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone?
The InChIKey is VYUGYTPMZAJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-15-9-5-8-14-10-11-19(17(14)15)16(20)12-13-6-3-1-2-4-7-13/h5,8-9,13H,1-4,6-7,10-12,18H2.
What are the key properties of 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone?
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone has a molecular weight of 272.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone is sourced from PubChem (CID 114458473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).