cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone

C15H17NO — CID 106655584

IUPACcyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
SMILESO=C(C1=CCCCC1)C1Cc2ccccc2N1
InChIInChI=1S/C15H17NO/c17-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16-14/h4-6,8-9,14,16H,1-3,7,10H2
InChIKeyIKJCAHJXLROACW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.09
Rot. Bonds2

About cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone

cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone (PubChem CID 106655584) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
PubChem CID106655584
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Namecyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
SMILESO=C(C1=CCCCC1)C1Cc2ccccc2N1
InChIInChI=1S/C15H17NO/c17-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16-14/h4-6,8-9,14,16H,1-3,7,10H2
InChIKeyIKJCAHJXLROACW-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 106655114
cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106651930
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 116596841
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
1-(2,3-dihydro-1H-indol-2-yl)prop-2-yn-1-one
CID 116596892

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone (CID 106655584) is cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone is O=C(C1=CCCCC1)C1Cc2ccccc2N1.
What is the InChIKey of cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone?
The InChIKey is IKJCAHJXLROACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16-14/h4-6,8-9,14,16H,1-3,7,10H2.
What are the key properties of cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone?
cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone is sourced from PubChem (CID 106655584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).