1-ethenyl-4-nitrosocyclohexane

C8H13NO — CID 90308427

IUPAC1-ethenyl-4-nitrosocyclohexane
SMILESC=CC1CCC(N=O)CC1
InChIInChI=1S/C8H13NO/c1-2-7-3-5-8(9-10)6-4-7/h2,7-8H,1,3-6H2
InChIKeyBABGTNVBGQFGEX-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.50
Rot. Bonds2

About 1-ethenyl-4-nitrosocyclohexane

1-ethenyl-4-nitrosocyclohexane (PubChem CID 90308427) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethenyl-4-nitrosocyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-nitrosocyclohexane
PubChem CID90308427
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethenyl-4-nitrosocyclohexane
SMILESC=CC1CCC(N=O)CC1
InChIInChI=1S/C8H13NO/c1-2-7-3-5-8(9-10)6-4-7/h2,7-8H,1,3-6H2
InChIKeyBABGTNVBGQFGEX-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.50
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 1-ethenyl-4-nitrosocyclohexane?
The IUPAC name of 1-ethenyl-4-nitrosocyclohexane (CID 90308427) is 1-ethenyl-4-nitrosocyclohexane.
What is the SMILES notation for 1-ethenyl-4-nitrosocyclohexane?
The canonical SMILES for 1-ethenyl-4-nitrosocyclohexane is C=CC1CCC(N=O)CC1.
What is the InChIKey of 1-ethenyl-4-nitrosocyclohexane?
The InChIKey is BABGTNVBGQFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-7-3-5-8(9-10)6-4-7/h2,7-8H,1,3-6H2.
What are the key properties of 1-ethenyl-4-nitrosocyclohexane?
1-ethenyl-4-nitrosocyclohexane has a molecular weight of 139.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-nitrosocyclohexane is sourced from PubChem (CID 90308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).