trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane

C16H19NO3Si — CID 177431636

IUPACtrimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane
SMILESC/C=C(\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[Si](C)(C)C
InChIInChI=1S/C16H19NO3Si/c1-5-16(21(2,3)4)15-11-10-14(20-15)12-6-8-13(9-7-12)17(18)19/h5-11H,1-4H3/b16-5+
InChIKeyUAYZRZYFRHTEFQ-FZSIALSZSA-N
MW301.42 g/mol
LogP5.14
Rot. Bonds4

About trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane

trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane (PubChem CID 177431636) has the molecular formula C16H19NO3Si and a molecular weight of 301.42 g/mol. Its IUPAC name is trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane
PubChem CID177431636
Molecular FormulaC16H19NO3Si
Molecular Weight301.42 g/mol
Exact Mass301.11
IUPAC Nametrimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane
SMILESC/C=C(\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[Si](C)(C)C
InChIInChI=1S/C16H19NO3Si/c1-5-16(21(2,3)4)15-11-10-14(20-15)12-6-8-13(9-7-12)17(18)19/h5-11H,1-4H3/b16-5+
InChIKeyUAYZRZYFRHTEFQ-FZSIALSZSA-N
XLogP5.14
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-nitrophenyl)furan-2-carbothioamide
CID 82118862
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
N-hydroxy-5-(4-nitrophenyl)furan-2-carboximidoyl chloride
CID 71391454
propan-2-yl 5-(4-nitrophenyl)furan-2-carboxylate
CID 43018407
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
(4-acetylphenyl) 5-(4-nitrophenyl)furan-2-carboxylate
CID 8001265
[2-(methylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691528
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7355757
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 5262182
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
CID 53327660
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
2-amino-4-[5-(4-nitrophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 4736035

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane (CID 177431636) is trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane is C/C=C(\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane?
The InChIKey is UAYZRZYFRHTEFQ-FZSIALSZSA-N. The full InChI is InChI=1S/C16H19NO3Si/c1-5-16(21(2,3)4)15-11-10-14(20-15)12-6-8-13(9-7-12)17(18)19/h5-11H,1-4H3/b16-5+.
What are the key properties of trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane?
trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane has a molecular weight of 301.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-[5-(4-nitrophenyl)furan-2-yl]prop-1-enyl]silane is sourced from PubChem (CID 177431636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).