(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone

C17H22N2O — CID 83211569

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)C1CC3CCC1C3)CC2
InChIInChI=1S/C17H22N2O/c1-10-6-13-4-5-19(16(13)9-15(10)18)17(20)14-8-11-2-3-12(14)7-11/h6,9,11-12,14H,2-5,7-8,18H2,1H3
InChIKeyXIUMCJMAQJWEHD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.90
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone (PubChem CID 83211569) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
PubChem CID83211569
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)C1CC3CCC1C3)CC2
InChIInChI=1S/C17H22N2O/c1-10-6-13-4-5-19(16(13)9-15(10)18)17(20)14-8-11-2-3-12(14)7-11/h6,9,11-12,14H,2-5,7-8,18H2,1H3
InChIKeyXIUMCJMAQJWEHD-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.90
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 (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone (CID 83211569) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone is Cc1cc2c(cc1N)N(C(=O)C1CC3CCC1C3)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The InChIKey is XIUMCJMAQJWEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10-6-13-4-5-19(16(13)9-15(10)18)17(20)14-8-11-2-3-12(14)7-11/h6,9,11-12,14H,2-5,7-8,18H2,1H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone has a molecular weight of 270.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone is sourced from PubChem (CID 83211569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).