(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate

C16H14NO- — CID 134841892

IUPAC(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
SMILESC/C=C(/N=C1\C=CC=C\C1=C/[O-])c1ccccc1
InChIInChI=1S/C16H15NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h2-12,18H,1H3/p-1/b14-12+,15-2+,17-16+
InChIKeyYNINNRGHYKUVEA-YWHWHSQTSA-M
MW236.29 g/mol
LogP2.86
Rot. Bonds2

About (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate

(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate (PubChem CID 134841892) has the molecular formula C16H14NO- and a molecular weight of 236.29 g/mol. Its IUPAC name is (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate.

Molecular Properties

Compound Name(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
PubChem CID134841892
Molecular FormulaC16H14NO-
Molecular Weight236.29 g/mol
Exact Mass236.11
IUPAC Name(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
SMILESC/C=C(/N=C1\C=CC=C\C1=C/[O-])c1ccccc1
InChIInChI=1S/C16H15NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h2-12,18H,1H3/p-1/b14-12+,15-2+,17-16+
InChIKeyYNINNRGHYKUVEA-YWHWHSQTSA-M
XLogP2.86
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate?
The IUPAC name of (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate (CID 134841892) is (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate.
What is the SMILES notation for (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate?
The canonical SMILES for (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate is C/C=C(/N=C1\C=CC=C\C1=C/[O-])c1ccccc1.
What is the InChIKey of (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate?
The InChIKey is YNINNRGHYKUVEA-YWHWHSQTSA-M. The full InChI is InChI=1S/C16H15NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h2-12,18H,1H3/p-1/b14-12+,15-2+,17-16+.
What are the key properties of (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate?
(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate has a molecular weight of 236.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate is sourced from PubChem (CID 134841892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).