2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one

C15H17NO — CID 158912892

IUPAC2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one
SMILESC=C1CCC(N2CCc3ccccc32)C(=O)C1
InChIInChI=1S/C15H17NO/c1-11-6-7-14(15(17)10-11)16-9-8-12-4-2-3-5-13(12)16/h2-5,14H,1,6-10H2
InChIKeyLMOZGZDQLKCHAA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.73
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one

2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one (PubChem CID 158912892) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one
PubChem CID158912892
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one
SMILESC=C1CCC(N2CCc3ccccc32)C(=O)C1
InChIInChI=1S/C15H17NO/c1-11-6-7-14(15(17)10-11)16-9-8-12-4-2-3-5-13(12)16/h2-5,14H,1,6-10H2
InChIKeyLMOZGZDQLKCHAA-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 167313251
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CID 102451637
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
3-(2,3-dihydroindol-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 3152006
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-[(2R)-oxan-2-yl]-2,3-dihydroindole
CID 134858745
1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one
CID 68746226
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
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CID 170009468

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one (CID 158912892) is 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one is C=C1CCC(N2CCc3ccccc32)C(=O)C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one?
The InChIKey is LMOZGZDQLKCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-7-14(15(17)10-11)16-9-8-12-4-2-3-5-13(12)16/h2-5,14H,1,6-10H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one?
2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one has a molecular weight of 227.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-methylidenecyclohexan-1-one is sourced from PubChem (CID 158912892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).