(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one

C16H19NO — CID 134964012

IUPAC(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@@](C)(C2=CCCCC2)c2ccccc21
InChIInChI=1S/C16H19NO/c1-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h6-8,10-11H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyKUFVAKROVRJGQG-INIZCTEOSA-N
MW241.33 g/mol
LogP3.42
Rot. Bonds1

About (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one

(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one (PubChem CID 134964012) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
PubChem CID134964012
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@@](C)(C2=CCCCC2)c2ccccc21
InChIInChI=1S/C16H19NO/c1-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h6-8,10-11H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyKUFVAKROVRJGQG-INIZCTEOSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
CID 157328720
9,9,10-trimethylacridine
CID 610451
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
CID 71513681
1,4,4-trimethyl-3H-quinolin-2-one
CID 14010251
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1,3-dimethyl-3-[(2-oxocyclohexyl)methyl]indol-2-one
CID 132532403
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
CID 10059075
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one?
The IUPAC name of (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one (CID 134964012) is (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one.
What is the SMILES notation for (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one?
The canonical SMILES for (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one is CN1C(=O)[C@@](C)(C2=CCCCC2)c2ccccc21.
What is the InChIKey of (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one?
The InChIKey is KUFVAKROVRJGQG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h6-8,10-11H,3-5,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one?
(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 134964012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).