3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

C11H17NO3 — CID 2770862

IUPAC3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC12CCC(C(=O)O)(CC1=NO)C2(C)C
InChIInChI=1S/C11H17NO3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12-15/h15H,4-6H2,1-3H3,(H,13,14)
InChIKeyNSRBNLPONXTVQG-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.12
Rot. Bonds1

About 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 2770862) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID2770862
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC12CCC(C(=O)O)(CC1=NO)C2(C)C
InChIInChI=1S/C11H17NO3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12-15/h15H,4-6H2,1-3H3,(H,13,14)
InChIKeyNSRBNLPONXTVQG-UHFFFAOYSA-N
XLogP2.12
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 2770862) is 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC12CCC(C(=O)O)(CC1=NO)C2(C)C.
What is the InChIKey of 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is NSRBNLPONXTVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12-15/h15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 2770862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).