[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane

C20H30N2O2Si — CID 135057876

IUPAC[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)n([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H30N2O2Si/c1-14(2)25(15(3)4,16(5)6)21-13-17(7)12-20(21)18-8-10-19(11-9-18)22(23)24/h8-16H,1-7H3
InChIKeyUISJTTOZFVIVDJ-UHFFFAOYSA-N
MW358.56 g/mol
LogP6.40
Rot. Bonds6

About [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane

[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane (PubChem CID 135057876) has the molecular formula C20H30N2O2Si and a molecular weight of 358.56 g/mol. Its IUPAC name is [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
PubChem CID135057876
Molecular FormulaC20H30N2O2Si
Molecular Weight358.56 g/mol
Exact Mass358.21
IUPAC Name[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)n([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C20H30N2O2Si/c1-14(2)25(15(3)4,16(5)6)21-13-17(7)12-20(21)18-8-10-19(11-9-18)22(23)24/h8-16H,1-7H3
InChIKeyUISJTTOZFVIVDJ-UHFFFAOYSA-N
XLogP6.40
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 56.40
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'}

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Related Compounds

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CID 43841109
1-methyl-4-nitrobenzene tritetrafluoroborate
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4-[2,5-bis(4-methylphenyl)-4-(4-nitrophenyl)pyrrolo[3,2-b]pyrrol-1-yl]aniline
CID 134566023
4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
CID 20537539
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
1-methyl-2-(4-nitrophenyl)-4-(trifluoromethyl)imidazole
CID 22989694
4-methylphenol;4-nitrophenol
CID 68529378
ethanol;1-methyl-4-nitrobenzene
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CID 139215074

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane (CID 135057876) is [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane is Cc1cc(-c2ccc([N+](=O)[O-])cc2)n([Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is UISJTTOZFVIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2Si/c1-14(2)25(15(3)4,16(5)6)21-13-17(7)12-20(21)18-8-10-19(11-9-18)22(23)24/h8-16H,1-7H3.
What are the key properties of [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
[4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 358.56 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-nitrophenyl)pyrrol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 135057876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).