6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile

C9H12N2 — CID 123714000

IUPAC6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(C#N)C(CC)C1
InChIInChI=1S/C9H12N2/c1-2-7-5-9(11)4-3-8(7)6-10/h3-4,7-8,11H,2,5H2,1H3/b11-9+
InChIKeyOQHBWJQDVDDOPL-PKNBQFBNSA-N
MW148.21 g/mol
LogP2.13
Rot. Bonds1

About 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile

6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile (PubChem CID 123714000) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile
PubChem CID123714000
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(C#N)C(CC)C1
InChIInChI=1S/C9H12N2/c1-2-7-5-9(11)4-3-8(7)6-10/h3-4,7-8,11H,2,5H2,1H3/b11-9+
InChIKeyOQHBWJQDVDDOPL-PKNBQFBNSA-N
XLogP2.13
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethylcyclohex-2-en-1-imine
CID 123411281
4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
CID 123539478
2,3-diethylcyclobutan-1-imine
CID 163689155
4-iminocyclohex-2-en-1-amine
CID 123227294
4-chloro-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123757457
4-ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075
3,5-diethylcyclopentane-1,2-dicarbonitrile
CID 170203759
4-chlorocyclohex-2-en-1-imine
CID 123430240
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
CID 63534603

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile?
The IUPAC name of 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile (CID 123714000) is 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile is [H]/N=C1\C=CC(C#N)C(CC)C1.
What is the InChIKey of 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile?
The InChIKey is OQHBWJQDVDDOPL-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-5-9(11)4-3-8(7)6-10/h3-4,7-8,11H,2,5H2,1H3/b11-9+.
What are the key properties of 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile?
6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 123714000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).