6-hydroxyimino-4-pentylcyclohex-2-en-1-one

C11H17NO2 — CID 173221109

IUPAC6-hydroxyimino-4-pentylcyclohex-2-en-1-one
SMILESCCCCCC1C=CC(=O)C(=NO)C1
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-9-6-7-11(13)10(8-9)12-14/h6-7,9,14H,2-5,8H2,1H3
InChIKeyGHHWOVSYIRNRRW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.54
Rot. Bonds4

About 6-hydroxyimino-4-pentylcyclohex-2-en-1-one

6-hydroxyimino-4-pentylcyclohex-2-en-1-one (PubChem CID 173221109) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-hydroxyimino-4-pentylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxyimino-4-pentylcyclohex-2-en-1-one
PubChem CID173221109
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-hydroxyimino-4-pentylcyclohex-2-en-1-one
SMILESCCCCCC1C=CC(=O)C(=NO)C1
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-9-6-7-11(13)10(8-9)12-14/h6-7,9,14H,2-5,8H2,1H3
InChIKeyGHHWOVSYIRNRRW-UHFFFAOYSA-N
XLogP2.54
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyimino-4-pentylcyclohex-2-en-1-one?
The IUPAC name of 6-hydroxyimino-4-pentylcyclohex-2-en-1-one (CID 173221109) is 6-hydroxyimino-4-pentylcyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxyimino-4-pentylcyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxyimino-4-pentylcyclohex-2-en-1-one is CCCCCC1C=CC(=O)C(=NO)C1.
What is the InChIKey of 6-hydroxyimino-4-pentylcyclohex-2-en-1-one?
The InChIKey is GHHWOVSYIRNRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-5-9-6-7-11(13)10(8-9)12-14/h6-7,9,14H,2-5,8H2,1H3.
What are the key properties of 6-hydroxyimino-4-pentylcyclohex-2-en-1-one?
6-hydroxyimino-4-pentylcyclohex-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyimino-4-pentylcyclohex-2-en-1-one is sourced from PubChem (CID 173221109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).