(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C17H16N2O — CID 5329154

IUPAC(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H16N2O/c20-17-14(13-6-2-4-8-16(13)19-17)10-12-9-11-5-1-3-7-15(11)18-12/h2,4,6,8-10,18H,1,3,5,7H2,(H,19,20)/b14-10-
InChIKeyPEQAQVCHUDMZPB-UVTDQMKNSA-N
MW264.33 g/mol
LogP3.39
Rot. Bonds1

About (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 5329154) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID5329154
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H16N2O/c20-17-14(13-6-2-4-8-16(13)19-17)10-12-9-11-5-1-3-7-15(11)18-12/h2,4,6,8-10,18H,1,3,5,7H2,(H,19,20)/b14-10-
InChIKeyPEQAQVCHUDMZPB-UVTDQMKNSA-N
XLogP3.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
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 (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 5329154) is (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cc2c([nH]1)CCCC2.
What is the InChIKey of (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is PEQAQVCHUDMZPB-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17-14(13-6-2-4-8-16(13)19-17)10-12-9-11-5-1-3-7-15(11)18-12/h2,4,6,8-10,18H,1,3,5,7H2,(H,19,20)/b14-10-.
What are the key properties of (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 5329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).