(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one

C15H19NO — CID 97056672

IUPAC(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1c1cccc2c1NCC2
InChIInChI=1S/C15H19NO/c17-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-16-15(11)13/h4-5,7,12,16H,1-3,6,8-10H2/t12-/m1/s1
InChIKeyJVLMOAMZEYUHMR-GFCCVEGCSA-N
MW229.32 g/mol
LogP3.27
Rot. Bonds1

About (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one

(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one (PubChem CID 97056672) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one
PubChem CID97056672
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1c1cccc2c1NCC2
InChIInChI=1S/C15H19NO/c17-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-16-15(11)13/h4-5,7,12,16H,1-3,6,8-10H2/t12-/m1/s1
InChIKeyJVLMOAMZEYUHMR-GFCCVEGCSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one (CID 97056672) is (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one is O=C1CCCCC[C@@H]1c1cccc2c1NCC2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one?
The InChIKey is JVLMOAMZEYUHMR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO/c17-14-8-3-1-2-6-12(14)13-7-4-5-11-9-10-16-15(11)13/h4-5,7,12,16H,1-3,6,8-10H2/t12-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one?
(2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-indol-7-yl)cycloheptan-1-one is sourced from PubChem (CID 97056672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).