3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid

C9H14N2O2 — CID 57219361

IUPAC3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
SMILESNN=C1C(C(=O)O)CC2CCCC12
InChIInChI=1S/C9H14N2O2/c10-11-8-6-3-1-2-5(6)4-7(8)9(12)13/h5-7H,1-4,10H2,(H,12,13)
InChIKeyGBZMDMNPBAGYIH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds1

About 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid

3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid (PubChem CID 57219361) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
PubChem CID57219361
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
SMILESNN=C1C(C(=O)O)CC2CCCC12
InChIInChI=1S/C9H14N2O2/c10-11-8-6-3-1-2-5(6)4-7(8)9(12)13/h5-7H,1-4,10H2,(H,12,13)
InChIKeyGBZMDMNPBAGYIH-UHFFFAOYSA-N
XLogP0.82
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
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

(3E)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 9582067
3-Hydrazinylidenespiro[4.4]nonane-2-carboxylic acid
CID 57253104
5-Diazobicyclo[2.2.1]heptane-2-carboxylic acid
CID 91443176
2-imino-3,3a,4,5,6,6a-hexahydro-1H-pentalene-1-carboxylic acid;hydrochloride
CID 145785710
(1R,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 829641
CID 2770868
CID 2770868
(1R,3Z,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 5410366
(1S,3Z,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 5424019
(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6341381
(1R,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6543970
(1R,3Z,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 50930154
(1S,3Z,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 98080167

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid?
The IUPAC name of 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid (CID 57219361) is 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid.
What is the SMILES notation for 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid?
The canonical SMILES for 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid is NN=C1C(C(=O)O)CC2CCCC12.
What is the InChIKey of 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid?
The InChIKey is GBZMDMNPBAGYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-11-8-6-3-1-2-5(6)4-7(8)9(12)13/h5-7H,1-4,10H2,(H,12,13).
What are the key properties of 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid?
3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylidene-2,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid is sourced from PubChem (CID 57219361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).