(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

C11H18N2O2 — CID 6341381

IUPAC(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@]2(C(=O)O)CC[C@@]1(C)/C(=N/N)C2
InChIInChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/b13-7+/t10-,11+/m0/s1
InChIKeyRHFYQGSVOPZKPI-MHSPPEMRSA-N
MW210.28 g/mol
LogP1.60
Rot. Bonds1

About (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 6341381) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID6341381
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@]2(C(=O)O)CC[C@@]1(C)/C(=N/N)C2
InChIInChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/b13-7+/t10-,11+/m0/s1
InChIKeyRHFYQGSVOPZKPI-MHSPPEMRSA-N
XLogP1.60
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 6341381) is (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)/C(=N/N)C2.
What is the InChIKey of (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is RHFYQGSVOPZKPI-MHSPPEMRSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/b13-7+/t10-,11+/m0/s1.
What are the key properties of (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 6341381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).