(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one

C20H17NO2 — CID 134156474

IUPAC(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C/c1ccc3[nH]ccc3c1)CC2
InChIInChI=1S/C20H17NO2/c1-23-17-6-5-14-3-4-16(20(22)18(14)12-17)11-13-2-7-19-15(10-13)8-9-21-19/h2,5-12,21H,3-4H2,1H3/b16-11+
InChIKeyWFWXHMXFPPTLCQ-LFIBNONCSA-N
MW303.36 g/mol
LogP4.39
Rot. Bonds2

About (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one

(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 134156474) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID134156474
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C/c1ccc3[nH]ccc3c1)CC2
InChIInChI=1S/C20H17NO2/c1-23-17-6-5-14-3-4-16(20(22)18(14)12-17)11-13-2-7-19-15(10-13)8-9-21-19/h2,5-12,21H,3-4H2,1H3/b16-11+
InChIKeyWFWXHMXFPPTLCQ-LFIBNONCSA-N
XLogP4.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one (CID 134156474) is (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)C(=O)/C(=C/c1ccc3[nH]ccc3c1)CC2.
What is the InChIKey of (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is WFWXHMXFPPTLCQ-LFIBNONCSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-17-6-5-14-3-4-16(20(22)18(14)12-17)11-13-2-7-19-15(10-13)8-9-21-19/h2,5-12,21H,3-4H2,1H3/b16-11+.
What are the key properties of (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134156474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).