4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid

C13H19NO3 — CID 123718010

IUPAC4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid
SMILES[H]/N=C(/C1CCC(C(=O)O)CC1)C1CCCC1=O
InChIInChI=1S/C13H19NO3/c14-12(10-2-1-3-11(10)15)8-4-6-9(7-5-8)13(16)17/h8-10,14H,1-7H2,(H,16,17)/b14-12-
InChIKeySLDDFKDJISUJPE-OWBHPGMISA-N
MW237.30 g/mol
LogP2.27
Rot. Bonds3

About 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid

4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid (PubChem CID 123718010) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid
PubChem CID123718010
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid
SMILES[H]/N=C(/C1CCC(C(=O)O)CC1)C1CCCC1=O
InChIInChI=1S/C13H19NO3/c14-12(10-2-1-3-11(10)15)8-4-6-9(7-5-8)13(16)17/h8-10,14H,1-7H2,(H,16,17)/b14-12-
InChIKeySLDDFKDJISUJPE-OWBHPGMISA-N
XLogP2.27
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid (CID 123718010) is 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid is [H]/N=C(/C1CCC(C(=O)O)CC1)C1CCCC1=O.
What is the InChIKey of 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid?
The InChIKey is SLDDFKDJISUJPE-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19NO3/c14-12(10-2-1-3-11(10)15)8-4-6-9(7-5-8)13(16)17/h8-10,14H,1-7H2,(H,16,17)/b14-12-.
What are the key properties of 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid?
4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxocyclopentanecarboximidoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 123718010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).