cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone

C16H21NO — CID 82032485

IUPACcyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)C3CCCCC3)ccc2N1
InChIInChI=1S/C16H21NO/c1-11-9-14-10-13(7-8-15(14)17-11)16(18)12-5-3-2-4-6-12/h7-8,10-12,17H,2-6,9H2,1H3
InChIKeyJJCMWZREDLHAJE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.81
Rot. Bonds2

About cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone

cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone (PubChem CID 82032485) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
PubChem CID82032485
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namecyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)C3CCCCC3)ccc2N1
InChIInChI=1S/C16H21NO/c1-11-9-14-10-13(7-8-15(14)17-11)16(18)12-5-3-2-4-6-12/h7-8,10-12,17H,2-6,9H2,1H3
InChIKeyJJCMWZREDLHAJE-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
Shellfish, unspecified
CID 584435
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
Acetophenone, 2-phenyl-2-(4-methylphenylamino)
CID 231205
3-acetyl-6-methyl-1H-quinolin-4-one
CID 3243839
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
4-Hydroxy-6-methylquinoline
CID 256080
4-(Diethylamino)benzophenone
CID 226270
(2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648349
6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one
CID 25141259

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The IUPAC name of cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone (CID 82032485) is cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The canonical SMILES for cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone is CC1Cc2cc(C(=O)C3CCCCC3)ccc2N1.
What is the InChIKey of cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The InChIKey is JJCMWZREDLHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-9-14-10-13(7-8-15(14)17-11)16(18)12-5-3-2-4-6-12/h7-8,10-12,17H,2-6,9H2,1H3.
What are the key properties of cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone is sourced from PubChem (CID 82032485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).