(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile

C19H14N2O2 — CID 6514025

IUPAC(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(/C(C#N)=C2\C=C/C(=N/O)c3ccccc32)cc1
InChIInChI=1S/C19H14N2O2/c1-23-14-8-6-13(7-9-14)18(12-20)16-10-11-19(21-22)17-5-3-2-4-15(16)17/h2-11,22H,1H3/b18-16+,21-19-
InChIKeyCYCYSCSRPYPQLM-DHZPKXATSA-N
MW302.33 g/mol
LogP3.88
Rot. Bonds2

About (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile

(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile (PubChem CID 6514025) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
PubChem CID6514025
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(/C(C#N)=C2\C=C/C(=N/O)c3ccccc32)cc1
InChIInChI=1S/C19H14N2O2/c1-23-14-8-6-13(7-9-14)18(12-20)16-10-11-19(21-22)17-5-3-2-4-15(16)17/h2-11,22H,1H3/b18-16+,21-19-
InChIKeyCYCYSCSRPYPQLM-DHZPKXATSA-N
XLogP3.88
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4Z)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
CID 5361979
2-(2-chloro-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-(4-chlorophenyl)acetonitrile
CID 165340892
2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 132561882
(2E)-2-(4-methoxyphenyl)-2-(3-oxobenzo[g][1]benzofuran-2-ylidene)acetonitrile
CID 177256317
(2Z)-2-[(4Z)-3-ethyl-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-phenylacetonitrile
CID 59386298
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
anisole;cyanic acid
CID 174663500
(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one
CID 11060168
2-(2,5-dichloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methylphenyl)acetonitrile
CID 3831561
CID 12714057
CID 12714057
(2Z)-2-[(2Z)-2-hydroxyiminothiophen-3-ylidene]-2-phenylacetonitrile
CID 88887795

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile (CID 6514025) is (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile is COc1ccc(/C(C#N)=C2\C=C/C(=N/O)c3ccccc32)cc1.
What is the InChIKey of (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is CYCYSCSRPYPQLM-DHZPKXATSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-14-8-6-13(7-9-14)18(12-20)16-10-11-19(21-22)17-5-3-2-4-15(16)17/h2-11,22H,1H3/b18-16+,21-19-.
What are the key properties of (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile?
(2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 302.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4Z)-4-hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 6514025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).