2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane

C20H28N2O2Si — CID 134946923

IUPAC2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2ccc([N+](=O)[O-])cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C20H28N2O2Si/c1-14(2)25(15(3)4,16(5)6)11-10-18-12-17-8-9-19(22(23)24)13-20(17)21(18)7/h8-9,12-16H,1-7H3
InChIKeyLKQCVKUCHIAMHK-UHFFFAOYSA-N
MW356.54 g/mol
LogP5.66
Rot. Bonds4

About 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane

2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 134946923) has the molecular formula C20H28N2O2Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID134946923
Molecular FormulaC20H28N2O2Si
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2ccc([N+](=O)[O-])cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C20H28N2O2Si/c1-14(2)25(15(3)4,16(5)6)11-10-18-12-17-8-9-19(22(23)24)13-20(17)21(18)7/h8-9,12-16H,1-7H3
InChIKeyLKQCVKUCHIAMHK-UHFFFAOYSA-N
XLogP5.66
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.54
LogP ≤ 55.66
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-nitro-13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 140861255
1-methyl-6-nitroindole-2-carbaldehyde
CID 105455916
tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane
CID 143948970
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
CID 676758
1-(3-methylbutyl)-6-nitroindole
CID 116621059
2-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-6-nitroindole
CID 175965406
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
3-N,4-N-bis(4-nitrophenyl)-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-diimine
CID 10963360
1-hydroxy-6-nitroindol-2-ol
CID 91576861
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane
CID 135059121

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane (CID 134946923) is 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cc2ccc([N+](=O)[O-])cc2n1C)(C(C)C)C(C)C.
What is the InChIKey of 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is LKQCVKUCHIAMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2Si/c1-14(2)25(15(3)4,16(5)6)11-10-18-12-17-8-9-19(22(23)24)13-20(17)21(18)7/h8-9,12-16H,1-7H3.
What are the key properties of 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 356.54 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 134946923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).