(4Z)-6-aminocyclooct-4-ene-1-carbonitrile

C9H14N2 — CID 126636154

IUPAC(4Z)-6-aminocyclooct-4-ene-1-carbonitrile
SMILESN#CC1CC/C=C\C(N)CC1
InChIInChI=1S/C9H14N2/c10-7-8-3-1-2-4-9(11)6-5-8/h2,4,8-9H,1,3,5-6,11H2/b4-2-
InChIKeyUAHZLEBWVHOXIZ-RQOWECAXSA-N
MW150.22 g/mol
LogP1.58
Rot. Bonds

About (4Z)-6-aminocyclooct-4-ene-1-carbonitrile

(4Z)-6-aminocyclooct-4-ene-1-carbonitrile (PubChem CID 126636154) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4Z)-6-aminocyclooct-4-ene-1-carbonitrile.

Molecular Properties

Compound Name(4Z)-6-aminocyclooct-4-ene-1-carbonitrile
PubChem CID126636154
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4Z)-6-aminocyclooct-4-ene-1-carbonitrile
SMILESN#CC1CC/C=C\C(N)CC1
InChIInChI=1S/C9H14N2/c10-7-8-3-1-2-4-9(11)6-5-8/h2,4,8-9H,1,3,5-6,11H2/b4-2-
InChIKeyUAHZLEBWVHOXIZ-RQOWECAXSA-N
XLogP1.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-aminocyclooct-4-ene-1-carbonitrile?
The IUPAC name of (4Z)-6-aminocyclooct-4-ene-1-carbonitrile (CID 126636154) is (4Z)-6-aminocyclooct-4-ene-1-carbonitrile.
What is the SMILES notation for (4Z)-6-aminocyclooct-4-ene-1-carbonitrile?
The canonical SMILES for (4Z)-6-aminocyclooct-4-ene-1-carbonitrile is N#CC1CC/C=C\C(N)CC1.
What is the InChIKey of (4Z)-6-aminocyclooct-4-ene-1-carbonitrile?
The InChIKey is UAHZLEBWVHOXIZ-RQOWECAXSA-N. The full InChI is InChI=1S/C9H14N2/c10-7-8-3-1-2-4-9(11)6-5-8/h2,4,8-9H,1,3,5-6,11H2/b4-2-.
What are the key properties of (4Z)-6-aminocyclooct-4-ene-1-carbonitrile?
(4Z)-6-aminocyclooct-4-ene-1-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-aminocyclooct-4-ene-1-carbonitrile is sourced from PubChem (CID 126636154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).