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

C17H23NO — CID 116554085

IUPAC2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C17H23NO/c1-2-12-4-3-5-14(10-12)17(19)15-6-7-16-13(11-15)8-9-18-16/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyATXRCAPAKAIISM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.05
Rot. Bonds3

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

2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone (PubChem CID 116554085) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
PubChem CID116554085
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C17H23NO/c1-2-12-4-3-5-14(10-12)17(19)15-6-7-16-13(11-15)8-9-18-16/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyATXRCAPAKAIISM-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(diethylamino)benzophenone
CID 66663
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
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 44409492
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone (CID 116554085) is 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2ccc3c(c2)CCN3)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone?
The InChIKey is ATXRCAPAKAIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-12-4-3-5-14(10-12)17(19)15-6-7-16-13(11-15)8-9-18-16/h6-7,11-12,14,18H,2-5,8-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone?
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone has a molecular weight of 257.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116554085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).