2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile

C13H24N2OSi — CID 123931431

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile
SMILES[H]/N=C1\CC(O[Si](C)(C)C(C)(C)C)CC1CC#N
InChIInChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-11-8-10(6-7-14)12(15)9-11/h10-11,15H,6,8-9H2,1-5H3/b15-12+
InChIKeyPCJFMBOHQSXDDQ-NTCAYCPXSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds3

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile

2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile (PubChem CID 123931431) has the molecular formula C13H24N2OSi and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile
PubChem CID123931431
Molecular FormulaC13H24N2OSi
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile
SMILES[H]/N=C1\CC(O[Si](C)(C)C(C)(C)C)CC1CC#N
InChIInChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-11-8-10(6-7-14)12(15)9-11/h10-11,15H,6,8-9H2,1-5H3/b15-12+
InChIKeyPCJFMBOHQSXDDQ-NTCAYCPXSA-N
XLogP3.72
TPSA56.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
CID 91080488
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
tert-butyl-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10499170
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
CID 11047381
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile (CID 123931431) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile is [H]/N=C1\CC(O[Si](C)(C)C(C)(C)C)CC1CC#N.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile?
The InChIKey is PCJFMBOHQSXDDQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-11-8-10(6-7-14)12(15)9-11/h10-11,15H,6,8-9H2,1-5H3/b15-12+.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile?
2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile has a molecular weight of 252.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-iminocyclopentyl]acetonitrile is sourced from PubChem (CID 123931431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).