3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one

C19H17NO — CID 70213917

IUPAC3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CC1CCc2ccccc2C1
InChIInChI=1S/C19H17NO/c21-19-17(16-7-3-4-8-18(16)20-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-8,12-13H,9-11H2,(H,20,21)
InChIKeyJPYQCYJBBMGCBJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.83
Rot. Bonds1

About 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one

3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one (PubChem CID 70213917) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
PubChem CID70213917
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CC1CCc2ccccc2C1
InChIInChI=1S/C19H17NO/c21-19-17(16-7-3-4-8-18(16)20-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-8,12-13H,9-11H2,(H,20,21)
InChIKeyJPYQCYJBBMGCBJ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.83
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 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one (CID 70213917) is 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=CC1CCc2ccccc2C1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is JPYQCYJBBMGCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19-17(16-7-3-4-8-18(16)20-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-8,12-13H,9-11H2,(H,20,21).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one?
3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 70213917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).