(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid

C10H15NO3 — CID 146317117

IUPAC(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCC/C1=N\O
InChIInChI=1S/C10H15NO3/c1-2-6-10(9(12)13)7-4-3-5-8(10)11-14/h2,14H,1,3-7H2,(H,12,13)/b11-8+
InChIKeyYJJIDAZZTVYXPZ-DHZHZOJOSA-N
MW197.23 g/mol
LogP2.04
Rot. Bonds3

About (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid

(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 146317117) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID146317117
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCC/C1=N\O
InChIInChI=1S/C10H15NO3/c1-2-6-10(9(12)13)7-4-3-5-8(10)11-14/h2,14H,1,3-7H2,(H,12,13)/b11-8+
InChIKeyYJJIDAZZTVYXPZ-DHZHZOJOSA-N
XLogP2.04
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid (CID 146317117) is (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1(C(=O)O)CCCC/C1=N\O.
What is the InChIKey of (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is YJJIDAZZTVYXPZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-6-10(9(12)13)7-4-3-5-8(10)11-14/h2,14H,1,3-7H2,(H,12,13)/b11-8+.
What are the key properties of (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid?
(2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 146317117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).