(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one

C18H14N2O2 — CID 3068214

IUPAC(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one
SMILESCN1C(=O)/C(=C2\C(=O)c3ccccc3N2C)c2ccccc21
InChIInChI=1S/C18H14N2O2/c1-19-14-10-6-4-8-12(14)17(21)16(19)15-11-7-3-5-9-13(11)20(2)18(15)22/h3-10H,1-2H3/b16-15+
InChIKeyDHOHPSKPDJGMKC-FOCLMDBBSA-N
MW290.32 g/mol
LogP2.71
Rot. Bonds

About (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one

(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one (PubChem CID 3068214) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one
PubChem CID3068214
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one
SMILESCN1C(=O)/C(=C2\C(=O)c3ccccc3N2C)c2ccccc21
InChIInChI=1S/C18H14N2O2/c1-19-14-10-6-4-8-12(14)17(21)16(19)15-11-7-3-5-9-13(11)20(2)18(15)22/h3-10H,1-2H3/b16-15+
InChIKeyDHOHPSKPDJGMKC-FOCLMDBBSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one?
The IUPAC name of (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one (CID 3068214) is (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one.
What is the SMILES notation for (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one?
The canonical SMILES for (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one is CN1C(=O)/C(=C2\C(=O)c3ccccc3N2C)c2ccccc21.
What is the InChIKey of (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one?
The InChIKey is DHOHPSKPDJGMKC-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-19-14-10-6-4-8-12(14)17(21)16(19)15-11-7-3-5-9-13(11)20(2)18(15)22/h3-10H,1-2H3/b16-15+.
What are the key properties of (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one?
(3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-(1-methyl-3-oxoindol-2-ylidene)indol-2-one is sourced from PubChem (CID 3068214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).