3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane

C11H21NOSi — CID 157245131

IUPAC3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane
SMILESC[SiH](C)C.N#CC=CC1(O)CCCC1
InChIInChI=1S/C8H11NO.C3H10Si/c9-7-3-6-8(10)4-1-2-5-8;1-4(2)3/h3,6,10H,1-2,4-5H2;4H,1-3H3
InChIKeyAVRBPRHPNQACAM-UHFFFAOYSA-N
MW211.38 g/mol
LogP2.47
Rot. Bonds1

About 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane

3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane (PubChem CID 157245131) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane.

Molecular Properties

Compound Name3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane
PubChem CID157245131
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane
SMILESC[SiH](C)C.N#CC=CC1(O)CCCC1
InChIInChI=1S/C8H11NO.C3H10Si/c9-7-3-6-8(10)4-1-2-5-8;1-4(2)3/h3,6,10H,1-2,4-5H2;4H,1-3H3
InChIKeyAVRBPRHPNQACAM-UHFFFAOYSA-N
XLogP2.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile
CID 58221014
(Z)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094684
3-(1-Trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094685
3-(1-Hydroxycyclopentyl)prop-2-enenitrile
CID 68361288
(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 87266443

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane?
The IUPAC name of 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane (CID 157245131) is 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane.
What is the SMILES notation for 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane?
The canonical SMILES for 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane is C[SiH](C)C.N#CC=CC1(O)CCCC1.
What is the InChIKey of 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane?
The InChIKey is AVRBPRHPNQACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C3H10Si/c9-7-3-6-8(10)4-1-2-5-8;1-4(2)3/h3,6,10H,1-2,4-5H2;4H,1-3H3.
What are the key properties of 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane?
3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane has a molecular weight of 211.38 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane is sourced from PubChem (CID 157245131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).