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

C18H18N2O2 — CID 5329158

IUPAC(3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2
InChIInChI=1S/C18H18N2O2/c1-22-13-6-7-14-15(18(21)20-17(14)10-13)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)/b15-9-
InChIKeyFZYFCOVGBMTUON-DHDCSXOGSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds2

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

(3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 5329158) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID5329158
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2
InChIInChI=1S/C18H18N2O2/c1-22-13-6-7-14-15(18(21)20-17(14)10-13)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)/b15-9-
InChIKeyFZYFCOVGBMTUON-DHDCSXOGSA-N
XLogP3.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
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 (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 5329158) is (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2.
What is the InChIKey of (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is FZYFCOVGBMTUON-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-13-6-7-14-15(18(21)20-17(14)10-13)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)/b15-9-.
What are the key properties of (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 5329158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).