(2-cyanocyclohex-2-en-1-yl) acetate

C9H11NO2 — CID 11378690

IUPAC(2-cyanocyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1C#N
InChIInChI=1S/C9H11NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h4,9H,2-3,5H2,1H3
InChIKeyLZIVYNHDVSDJOE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.55
Rot. Bonds1

About (2-cyanocyclohex-2-en-1-yl) acetate

(2-cyanocyclohex-2-en-1-yl) acetate (PubChem CID 11378690) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2-cyanocyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(2-cyanocyclohex-2-en-1-yl) acetate
PubChem CID11378690
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2-cyanocyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1C#N
InChIInChI=1S/C9H11NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h4,9H,2-3,5H2,1H3
InChIKeyLZIVYNHDVSDJOE-UHFFFAOYSA-N
XLogP1.55
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyanocyclohex-2-en-1-yl) acetate?
The IUPAC name of (2-cyanocyclohex-2-en-1-yl) acetate (CID 11378690) is (2-cyanocyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (2-cyanocyclohex-2-en-1-yl) acetate?
The canonical SMILES for (2-cyanocyclohex-2-en-1-yl) acetate is CC(=O)OC1CCCC=C1C#N.
What is the InChIKey of (2-cyanocyclohex-2-en-1-yl) acetate?
The InChIKey is LZIVYNHDVSDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h4,9H,2-3,5H2,1H3.
What are the key properties of (2-cyanocyclohex-2-en-1-yl) acetate?
(2-cyanocyclohex-2-en-1-yl) acetate has a molecular weight of 165.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanocyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 11378690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).