(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid

C8H12N2O2 — CID 99990943

IUPAC(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESN/N=C1/C[C@@H]2CC[C@]1(C(=O)O)C2
InChIInChI=1S/C8H12N2O2/c9-10-6-3-5-1-2-8(6,4-5)7(11)12/h5H,1-4,9H2,(H,11,12)/b10-6-/t5-,8-/m0/s1
InChIKeyYWAZIKONSBNTNC-GUZQTAPTSA-N
MW168.20 g/mol
LogP0.58
Rot. Bonds1

About (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid

(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 99990943) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID99990943
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESN/N=C1/C[C@@H]2CC[C@]1(C(=O)O)C2
InChIInChI=1S/C8H12N2O2/c9-10-6-3-5-1-2-8(6,4-5)7(11)12/h5H,1-4,9H2,(H,11,12)/b10-6-/t5-,8-/m0/s1
InChIKeyYWAZIKONSBNTNC-GUZQTAPTSA-N
XLogP0.58
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.58
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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Related Compounds

(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 102568381
3-hydroxy-2-oxoadamantane-1-carboxylic acid
CID 141432204
1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid
CID 91378596
(1S,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 50897820
(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792
(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
CID 54063246
(1R,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6543970
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
3-aminocyclohexane-1,1-dicarboxylic acid
CID 139939403
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid (CID 99990943) is (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid is N/N=C1/C[C@@H]2CC[C@]1(C(=O)O)C2.
What is the InChIKey of (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is YWAZIKONSBNTNC-GUZQTAPTSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-10-6-3-5-1-2-8(6,4-5)7(11)12/h5H,1-4,9H2,(H,11,12)/b10-6-/t5-,8-/m0/s1.
What are the key properties of (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 99990943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).