(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile

C18H14N2O2 — CID 155531005

IUPAC(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile
SMILESCOc1ccc2c(c1)/C(=C/C#N)C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H14N2O2/c1-22-14-7-8-17-16(11-14)15(9-10-19)18(21)20(17)12-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3/b15-9-
InChIKeyYQPZCELOXFHOOQ-DHDCSXOGSA-N
MW290.32 g/mol
LogP3.15
Rot. Bonds3

About (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile

(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile (PubChem CID 155531005) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile
PubChem CID155531005
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile
SMILESCOc1ccc2c(c1)/C(=C/C#N)C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H14N2O2/c1-22-14-7-8-17-16(11-14)15(9-10-19)18(21)20(17)12-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3/b15-9-
InChIKeyYQPZCELOXFHOOQ-DHDCSXOGSA-N
XLogP3.15
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile?
The IUPAC name of (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile (CID 155531005) is (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile?
The canonical SMILES for (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile is COc1ccc2c(c1)/C(=C/C#N)C(=O)N2Cc1ccccc1.
What is the InChIKey of (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile?
The InChIKey is YQPZCELOXFHOOQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-14-7-8-17-16(11-14)15(9-10-19)18(21)20(17)12-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3/b15-9-.
What are the key properties of (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile?
(2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile has a molecular weight of 290.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-benzyl-5-methoxy-2-oxoindol-3-ylidene)acetonitrile is sourced from PubChem (CID 155531005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).