CID 11354937

C25H17NO11W2 — CID 11354937

IUPAC—
SMILESCOC(=[W])/C=C/c1ccc(/C=C/C(=[W])N(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H17NO.10CO.2W/c1-16(2)12-4-6-14-8-10-15(11-9-14)7-5-13-17-3;10*1-2;;/h4-11H,1-3H3;;;;;;;;;;;;/b6-4+,7-5+;;;;;;;;;;;;
InChIKeyWYPLKZSMOFJSKL-IOXIFFJXSA-N
MW875.09 g/mol
LogP1.90
Rot. Bonds6

About CID 11354937

CID 11354937 (PubChem CID 11354937) has the molecular formula C25H17NO11W2 and a molecular weight of 875.09 g/mol.

Molecular Properties

Compound NameCID 11354937
PubChem CID11354937
Molecular FormulaC25H17NO11W2
Molecular Weight875.09 g/mol
Exact Mass874.98
IUPAC Name—
SMILESCOC(=[W])/C=C/c1ccc(/C=C/C(=[W])N(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H17NO.10CO.2W/c1-16(2)12-4-6-14-8-10-15(11-9-14)7-5-13-17-3;10*1-2;;/h4-11H,1-3H3;;;;;;;;;;;;/b6-4+,7-5+;;;;;;;;;;;;
InChIKeyWYPLKZSMOFJSKL-IOXIFFJXSA-N
XLogP1.90
TPSA211.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500875.09
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

CID 11216330
CID 11216330
[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten
CID 11353164
methyl (E)-3-[4-[acetyl(methyl)amino]phenyl]prop-2-enoate
CID 132562862
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
CID 144568960
CID 175667798
CID 175667798
[(E)-3-(4-chlorophenyl)-1-methoxyprop-2-enylidene]chromium
CID 135076224
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
[(E)-1-methoxy-3-(4-methoxyphenyl)prop-2-enylidene]chromium
CID 11349156
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773

Frequently Asked Questions

What is the IUPAC name of CID 11354937?
The IUPAC name of CID 11354937 (CID 11354937) is not available.
What is the SMILES notation for CID 11354937?
The canonical SMILES for CID 11354937 is COC(=[W])/C=C/c1ccc(/C=C/C(=[W])N(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of CID 11354937?
The InChIKey is WYPLKZSMOFJSKL-IOXIFFJXSA-N. The full InChI is InChI=1S/C15H17NO.10CO.2W/c1-16(2)12-4-6-14-8-10-15(11-9-14)7-5-13-17-3;10*1-2;;/h4-11H,1-3H3;;;;;;;;;;;;/b6-4+,7-5+;;;;;;;;;;;;.
What are the key properties of CID 11354937?
CID 11354937 has a molecular weight of 875.09 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11354937 is sourced from PubChem (CID 11354937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).