(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile

C10H17NOSi — CID 129410897

IUPAC(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
SMILESCC1=C[C@@](C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C10H17NOSi/c1-9-5-6-10(7-9,8-11)12-13(2,3)4/h7H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyHJXKQGJHWLQYSC-JTQLQIEISA-N
MW195.34 g/mol
LogP2.84
Rot. Bonds2

About (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile

(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile (PubChem CID 129410897) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
PubChem CID129410897
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
SMILESCC1=C[C@@](C#N)(O[Si](C)(C)C)CC1
InChIInChI=1S/C10H17NOSi/c1-9-5-6-10(7-9,8-11)12-13(2,3)4/h7H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyHJXKQGJHWLQYSC-JTQLQIEISA-N
XLogP2.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile 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

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(Z)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094684
3-(1-Trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094685
(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 87266443
(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
(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 11694484
3-Iodo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 12162476
2-Methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 13812660
1-Tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
CID 15180237

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?
The IUPAC name of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile (CID 129410897) is (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?
The canonical SMILES for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile is CC1=C[C@@](C#N)(O[Si](C)(C)C)CC1.
What is the InChIKey of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?
The InChIKey is HJXKQGJHWLQYSC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NOSi/c1-9-5-6-10(7-9,8-11)12-13(2,3)4/h7H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile?
(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile has a molecular weight of 195.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 129410897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).