5-cyclohexyl-3-methylidene-1H-indol-2-one

C15H17NO — CID 168982745

IUPAC5-cyclohexyl-3-methylidene-1H-indol-2-one
SMILESC=C1C(=O)Nc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H17NO/c1-10-13-9-12(11-5-3-2-4-6-11)7-8-14(13)16-15(10)17/h7-9,11H,1-6H2,(H,16,17)
InChIKeyYLDXEKVOMMGMOQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.70
Rot. Bonds1

About 5-cyclohexyl-3-methylidene-1H-indol-2-one

5-cyclohexyl-3-methylidene-1H-indol-2-one (PubChem CID 168982745) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-cyclohexyl-3-methylidene-1H-indol-2-one.

Molecular Properties

Compound Name5-cyclohexyl-3-methylidene-1H-indol-2-one
PubChem CID168982745
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name5-cyclohexyl-3-methylidene-1H-indol-2-one
SMILESC=C1C(=O)Nc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H17NO/c1-10-13-9-12(11-5-3-2-4-6-11)7-8-14(13)16-15(10)17/h7-9,11H,1-6H2,(H,16,17)
InChIKeyYLDXEKVOMMGMOQ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-methylidene-1H-indol-2-one?
The IUPAC name of 5-cyclohexyl-3-methylidene-1H-indol-2-one (CID 168982745) is 5-cyclohexyl-3-methylidene-1H-indol-2-one.
What is the SMILES notation for 5-cyclohexyl-3-methylidene-1H-indol-2-one?
The canonical SMILES for 5-cyclohexyl-3-methylidene-1H-indol-2-one is C=C1C(=O)Nc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 5-cyclohexyl-3-methylidene-1H-indol-2-one?
The InChIKey is YLDXEKVOMMGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-13-9-12(11-5-3-2-4-6-11)7-8-14(13)16-15(10)17/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of 5-cyclohexyl-3-methylidene-1H-indol-2-one?
5-cyclohexyl-3-methylidene-1H-indol-2-one has a molecular weight of 227.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-methylidene-1H-indol-2-one is sourced from PubChem (CID 168982745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).