2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile

C11H17NOSi — CID 101254333

IUPAC2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)C1=CC=CC1
InChIInChI=1S/C11H17NOSi/c1-11(9-12,13-14(2,3)4)10-7-5-6-8-10/h5-7H,8H2,1-4H3
InChIKeyXEEBCPXHEGTXJU-UHFFFAOYSA-N
MW207.35 g/mol
LogP3.01
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile

2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile (PubChem CID 101254333) has the molecular formula C11H17NOSi and a molecular weight of 207.35 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile
PubChem CID101254333
Molecular FormulaC11H17NOSi
Molecular Weight207.35 g/mol
Exact Mass207.11
IUPAC Name2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)C1=CC=CC1
InChIInChI=1S/C11H17NOSi/c1-11(9-12,13-14(2,3)4)10-7-5-6-8-10/h5-7H,8H2,1-4H3
InChIKeyXEEBCPXHEGTXJU-UHFFFAOYSA-N
XLogP3.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
(3E,5E)-2-prop-2-enyl-2-trimethylsilyloxyhepta-3,5-dienenitrile
CID 13705584
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
2-(1-Trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
CID 57364526
(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
CID 148654414
2-[Chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)propanenitrile
CID 157176273
6-Ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
CID 163569741
(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile
CID 10729578
(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile
CID 12633140
1-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
CID 86084805
2-Cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxybutanenitrile
CID 101254329
2-Cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypentanenitrile
CID 101254330

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile (CID 101254333) is 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile?
The InChIKey is XEEBCPXHEGTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOSi/c1-11(9-12,13-14(2,3)4)10-7-5-6-8-10/h5-7H,8H2,1-4H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile?
2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile has a molecular weight of 207.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 101254333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).