2-iminobicyclo[2.2.1]heptane-1-carboxylic acid

C8H11NO2 — CID 57144021

IUPAC2-iminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILES[H]/N=C1\CC2CCC1(C(=O)O)C2
InChIInChI=1S/C8H11NO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5,9H,1-4H2,(H,10,11)/b9-6+
InChIKeyDAYGRQJTVARIGE-RMKNXTFCSA-N
MW153.18 g/mol
LogP1.28
Rot. Bonds1

About 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid

2-iminobicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 57144021) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name2-iminobicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID57144021
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-iminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILES[H]/N=C1\CC2CCC1(C(=O)O)C2
InChIInChI=1S/C8H11NO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5,9H,1-4H2,(H,10,11)/b9-6+
InChIKeyDAYGRQJTVARIGE-RMKNXTFCSA-N
XLogP1.28
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(hydroxyimino)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 9554297
(3Z)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 5708245
(3E)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 9582067
3-Hydroxyimino-4,7,7-trimethyl-norbornane-1-carboxylic acid
CID 2770862
3-Hydrazinylidenespiro[4.4]nonane-2-carboxylic acid
CID 57253104
7,7-Dimethyl-2-methyliminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 57810460
2-Imino-5,5-dimethylcyclohexane-1-carboxylic acid
CID 91008735
3-(1-Bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid
CID 91329754
4-Ethanimidoylcyclohexane-1-carboxylic acid
CID 123408202
4-(2-Oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid
CID 123718010
(1S)-2-imino-4-methylcyclohexane-1-carboxylic acid
CID 164060694
(1R,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 829641

Frequently Asked Questions

What is the IUPAC name of 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid (CID 57144021) is 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid is [H]/N=C1\CC2CCC1(C(=O)O)C2.
What is the InChIKey of 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is DAYGRQJTVARIGE-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11NO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5,9H,1-4H2,(H,10,11)/b9-6+.
What are the key properties of 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid?
2-iminobicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminobicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 57144021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).