1-nitroso-2-pent-4-enylcyclohexane

C11H19NO — CID 91283723

IUPAC1-nitroso-2-pent-4-enylcyclohexane
SMILESC=CCCCC1CCCCC1N=O
InChIInChI=1S/C11H19NO/c1-2-3-4-7-10-8-5-6-9-11(10)12-13/h2,10-11H,1,3-9H2
InChIKeyBGDXDWOQTXTCEM-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.67
Rot. Bonds5

About 1-nitroso-2-pent-4-enylcyclohexane

1-nitroso-2-pent-4-enylcyclohexane (PubChem CID 91283723) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-nitroso-2-pent-4-enylcyclohexane.

Molecular Properties

Compound Name1-nitroso-2-pent-4-enylcyclohexane
PubChem CID91283723
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-nitroso-2-pent-4-enylcyclohexane
SMILESC=CCCCC1CCCCC1N=O
InChIInChI=1S/C11H19NO/c1-2-3-4-7-10-8-5-6-9-11(10)12-13/h2,10-11H,1,3-9H2
InChIKeyBGDXDWOQTXTCEM-UHFFFAOYSA-N
XLogP3.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-2-pent-4-enylcyclohexane?
The IUPAC name of 1-nitroso-2-pent-4-enylcyclohexane (CID 91283723) is 1-nitroso-2-pent-4-enylcyclohexane.
What is the SMILES notation for 1-nitroso-2-pent-4-enylcyclohexane?
The canonical SMILES for 1-nitroso-2-pent-4-enylcyclohexane is C=CCCCC1CCCCC1N=O.
What is the InChIKey of 1-nitroso-2-pent-4-enylcyclohexane?
The InChIKey is BGDXDWOQTXTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-7-10-8-5-6-9-11(10)12-13/h2,10-11H,1,3-9H2.
What are the key properties of 1-nitroso-2-pent-4-enylcyclohexane?
1-nitroso-2-pent-4-enylcyclohexane has a molecular weight of 181.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2-pent-4-enylcyclohexane is sourced from PubChem (CID 91283723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).