(1R)-2-iminocyclohexane-1-carboxylic acid

C7H11NO2 — CID 86316627

IUPAC(1R)-2-iminocyclohexane-1-carboxylic acid
SMILES[H]/N=C1\CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h5,8H,1-4H2,(H,9,10)/b8-6+/t5-/m1/s1
InChIKeyRXKRGMPBGJLPEL-KITRQZPWSA-N
MW141.17 g/mol
LogP1.28
Rot. Bonds1

About (1R)-2-iminocyclohexane-1-carboxylic acid

(1R)-2-iminocyclohexane-1-carboxylic acid (PubChem CID 86316627) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R)-2-iminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-iminocyclohexane-1-carboxylic acid
PubChem CID86316627
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1R)-2-iminocyclohexane-1-carboxylic acid
SMILES[H]/N=C1\CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h5,8H,1-4H2,(H,9,10)/b8-6+/t5-/m1/s1
InChIKeyRXKRGMPBGJLPEL-KITRQZPWSA-N
XLogP1.28
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
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

ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
2-iminocyclohexan-1-amine
CID 23599757
2-sulfonylcyclohexane-1-carboxylic acid
CID 141192020
(1Z)-cyclooctene-1,2,3-tricarboxylic acid
CID 121331499
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
2-iminocyclopentan-1-ol
CID 131743641
(3-amino-3-oxopropyl) (1R)-2-iminocyclopentane-1-carbodithioate
CID 6713629
(1S)-3-iminocyclopentane-1-carboxylic acid
CID 138456917
(2-methylidenecycloheptyl)-phenylmethanone
CID 100964803

Frequently Asked Questions

What is the IUPAC name of (1R)-2-iminocyclohexane-1-carboxylic acid?
The IUPAC name of (1R)-2-iminocyclohexane-1-carboxylic acid (CID 86316627) is (1R)-2-iminocyclohexane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-iminocyclohexane-1-carboxylic acid?
The canonical SMILES for (1R)-2-iminocyclohexane-1-carboxylic acid is [H]/N=C1\CCCC[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-iminocyclohexane-1-carboxylic acid?
The InChIKey is RXKRGMPBGJLPEL-KITRQZPWSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h5,8H,1-4H2,(H,9,10)/b8-6+/t5-/m1/s1.
What are the key properties of (1R)-2-iminocyclohexane-1-carboxylic acid?
(1R)-2-iminocyclohexane-1-carboxylic acid has a molecular weight of 141.17 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 (1R)-2-iminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 86316627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).