[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten

C14H15NOW — CID 11353164

IUPAC[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten
SMILESC#CC(O)c1ccc(/C=C/C(=[W])N(C)C)cc1
InChIInChI=1S/C14H15NO.W/c1-4-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3;/h1,5-10,14,16H,2-3H3;/b6-5+;
InChIKeySBNXYHRPOKMGMZ-IPZCTEOASA-N
MW397.12 g/mol
LogP1.60
Rot. Bonds4

About [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten

[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten (PubChem CID 11353164) has the molecular formula C14H15NOW and a molecular weight of 397.12 g/mol. Its IUPAC name is [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten.

Molecular Properties

Compound Name[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten
PubChem CID11353164
Molecular FormulaC14H15NOW
Molecular Weight397.12 g/mol
Exact Mass397.07
IUPAC Name[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten
SMILESC#CC(O)c1ccc(/C=C/C(=[W])N(C)C)cc1
InChIInChI=1S/C14H15NO.W/c1-4-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3;/h1,5-10,14,16H,2-3H3;/b6-5+;
InChIKeySBNXYHRPOKMGMZ-IPZCTEOASA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.12
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-hydroxyprop-2-ynyl]benzaldehyde
CID 93496079
CID 11354937
CID 11354937
(1S)-1-(4-phenylphenyl)prop-2-yn-1-ol
CID 129371328
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407
2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine
CID 173454823
1-(4-bromo-3-methylphenyl)prop-2-yn-1-ol
CID 81447284
1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine
CID 54056378
(E)-N-but-3-yn-2-yl-3-(4-nitrophenyl)prop-2-enamide
CID 114419006
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
CID 91091154
(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten?
The IUPAC name of [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten (CID 11353164) is [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten.
What is the SMILES notation for [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten?
The canonical SMILES for [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten is C#CC(O)c1ccc(/C=C/C(=[W])N(C)C)cc1.
What is the InChIKey of [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten?
The InChIKey is SBNXYHRPOKMGMZ-IPZCTEOASA-N. The full InChI is InChI=1S/C14H15NO.W/c1-4-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3;/h1,5-10,14,16H,2-3H3;/b6-5+;.
What are the key properties of [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten?
[(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten has a molecular weight of 397.12 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(dimethylamino)-3-[4-(1-hydroxyprop-2-ynyl)phenyl]prop-2-enylidene]tungsten is sourced from PubChem (CID 11353164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).