4-(dimethylamino)cyclohex-2-ene-1-carbonitrile

C9H14N2 — CID 130120427

IUPAC4-(dimethylamino)cyclohex-2-ene-1-carbonitrile
SMILESCN(C)C1C=CC(C#N)CC1
InChIInChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3,5,8-9H,4,6H2,1-2H3
InChIKeyRXVKRZDGGUGMBA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.41
Rot. Bonds1

About 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile

4-(dimethylamino)cyclohex-2-ene-1-carbonitrile (PubChem CID 130120427) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)cyclohex-2-ene-1-carbonitrile
PubChem CID130120427
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-(dimethylamino)cyclohex-2-ene-1-carbonitrile
SMILESCN(C)C1C=CC(C#N)CC1
InChIInChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3,5,8-9H,4,6H2,1-2H3
InChIKeyRXVKRZDGGUGMBA-UHFFFAOYSA-N
XLogP1.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
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 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile?
The IUPAC name of 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile (CID 130120427) is 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile is CN(C)C1C=CC(C#N)CC1.
What is the InChIKey of 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile?
The InChIKey is RXVKRZDGGUGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3,5,8-9H,4,6H2,1-2H3.
What are the key properties of 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile?
4-(dimethylamino)cyclohex-2-ene-1-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 130120427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).