(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile

C18H36N2Si2 — CID 46900328

IUPAC(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile
SMILESC[Si](C)(C)C/C(C#N)=C(/CCCN1CCCC1)C[Si](C)(C)C
InChIInChI=1S/C18H36N2Si2/c1-21(2,3)15-17(18(14-19)16-22(4,5)6)10-9-13-20-11-7-8-12-20/h7-13,15-16H2,1-6H3/b18-17-
InChIKeyLXKZFEWODUIZIA-ZCXUNETKSA-N
MW336.67 g/mol
LogP5.36
Rot. Bonds8

About (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile

(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile (PubChem CID 46900328) has the molecular formula C18H36N2Si2 and a molecular weight of 336.67 g/mol. Its IUPAC name is (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile.

Molecular Properties

Compound Name(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile
PubChem CID46900328
Molecular FormulaC18H36N2Si2
Molecular Weight336.67 g/mol
Exact Mass336.24
IUPAC Name(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile
SMILESC[Si](C)(C)C/C(C#N)=C(/CCCN1CCCC1)C[Si](C)(C)C
InChIInChI=1S/C18H36N2Si2/c1-21(2,3)15-17(18(14-19)16-22(4,5)6)10-9-13-20-11-7-8-12-20/h7-13,15-16H2,1-6H3/b18-17-
InChIKeyLXKZFEWODUIZIA-ZCXUNETKSA-N
XLogP5.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 55.36
H-Bond Donors ≤ 50
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

(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile
CID 102044175
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
11-pyrrolidin-1-ylundecanamide
CID 175975624
5-(azocan-1-yl)pentanenitrile
CID 60688798
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
methyl 4-(azocan-1-yl)butanoate
CID 43377737
ethenyl-dimethyl-(3-piperidin-1-ylpropyl)silane
CID 67433761
dichloro-methyl-(3-piperidin-1-ylpropyl)silane
CID 19900955
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
ethyl 4-piperidin-1-ylbutanoate
CID 14044356

Frequently Asked Questions

What is the IUPAC name of (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile?
The IUPAC name of (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile (CID 46900328) is (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile.
What is the SMILES notation for (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile?
The canonical SMILES for (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile is C[Si](C)(C)C/C(C#N)=C(/CCCN1CCCC1)C[Si](C)(C)C.
What is the InChIKey of (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile?
The InChIKey is LXKZFEWODUIZIA-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36N2Si2/c1-21(2,3)15-17(18(14-19)16-22(4,5)6)10-9-13-20-11-7-8-12-20/h7-13,15-16H2,1-6H3/b18-17-.
What are the key properties of (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile?
(Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile has a molecular weight of 336.67 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-pyrrolidin-1-yl-2,3-bis(trimethylsilylmethyl)hex-2-enenitrile is sourced from PubChem (CID 46900328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).