[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium

C16H21CrNSi — CID 11730019

IUPAC[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium
SMILESC[Si](C)(C)C#CCCNC(=[Cr])/C=C/c1ccccc1
InChIInChI=1S/C16H21NSi.Cr/c1-18(2,3)15-8-7-13-17-14-9-12-16-10-5-4-6-11-16;/h4-6,9-12,17H,7,13H2,1-3H3;/b12-9+;
InChIKeyFHKLZTHZZNPAOL-NBYYMMLRSA-N
MW307.43 g/mol
LogP3.24
Rot. Bonds5

About [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium

[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium (PubChem CID 11730019) has the molecular formula C16H21CrNSi and a molecular weight of 307.43 g/mol. Its IUPAC name is [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium.

Molecular Properties

Compound Name[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium
PubChem CID11730019
Molecular FormulaC16H21CrNSi
Molecular Weight307.43 g/mol
Exact Mass307.08
IUPAC Name[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium
SMILESC[Si](C)(C)C#CCCNC(=[Cr])/C=C/c1ccccc1
InChIInChI=1S/C16H21NSi.Cr/c1-18(2,3)15-8-7-13-17-14-9-12-16-10-5-4-6-11-16;/h4-6,9-12,17H,7,13H2,1-3H3;/b12-9+;
InChIKeyFHKLZTHZZNPAOL-NBYYMMLRSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
trimethyl-[(3E,5Z)-5-methyl-6-phenylhexa-3,5-dien-1-ynyl]silane
CID 101267060
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
(2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide
CID 163193968
2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
CID 76888162
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
[(1Z,3E)-2-ethoxy-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 134993692

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium?
The IUPAC name of [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium (CID 11730019) is [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium.
What is the SMILES notation for [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium?
The canonical SMILES for [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium is C[Si](C)(C)C#CCCNC(=[Cr])/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium?
The InChIKey is FHKLZTHZZNPAOL-NBYYMMLRSA-N. The full InChI is InChI=1S/C16H21NSi.Cr/c1-18(2,3)15-8-7-13-17-14-9-12-16-10-5-4-6-11-16;/h4-6,9-12,17H,7,13H2,1-3H3;/b12-9+;.
What are the key properties of [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium?
[(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium has a molecular weight of 307.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenyl-1-(4-trimethylsilylbut-3-ynylamino)prop-2-enylidene]chromium is sourced from PubChem (CID 11730019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).