6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile

C10H12N2 — CID 89346723

IUPAC6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
SMILES[H]/N=C1\CC(C(=C)C)CC=C1C#N
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h4,8,12H,1,3,5H2,2H3/b12-10+
InChIKeyKQCFGDJEFZZABA-ZRDIBKRKSA-N
MW160.22 g/mol
LogP2.44
Rot. Bonds1

About 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile

6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile (PubChem CID 89346723) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
PubChem CID89346723
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
SMILES[H]/N=C1\CC(C(=C)C)CC=C1C#N
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h4,8,12H,1,3,5H2,2H3/b12-10+
InChIKeyKQCFGDJEFZZABA-ZRDIBKRKSA-N
XLogP2.44
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile?
The IUPAC name of 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile (CID 89346723) is 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile.
What is the SMILES notation for 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile?
The canonical SMILES for 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile is [H]/N=C1\CC(C(=C)C)CC=C1C#N.
What is the InChIKey of 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile?
The InChIKey is KQCFGDJEFZZABA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h4,8,12H,1,3,5H2,2H3/b12-10+.
What are the key properties of 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile?
6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile is sourced from PubChem (CID 89346723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).