6-aminocyclohex-3-ene-1-carboxylic acid

C7H11NO2 — CID 560139

IUPAC6-aminocyclohex-3-ene-1-carboxylic acid
SMILESNC1CC=CCC1C(=O)O
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)
InChIKeyCQINMZNDBYQHKR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds1

About 6-aminocyclohex-3-ene-1-carboxylic acid

6-aminocyclohex-3-ene-1-carboxylic acid (PubChem CID 560139) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 6-aminocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-aminocyclohex-3-ene-1-carboxylic acid
PubChem CID560139
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name6-aminocyclohex-3-ene-1-carboxylic acid
SMILESNC1CC=CCC1C(=O)O
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)
InChIKeyCQINMZNDBYQHKR-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-aminocyclohex-3-ene-1-carboxylic acid (CID 560139) is 6-aminocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-aminocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-aminocyclohex-3-ene-1-carboxylic acid is NC1CC=CCC1C(=O)O.
What is the InChIKey of 6-aminocyclohex-3-ene-1-carboxylic acid?
The InChIKey is CQINMZNDBYQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10).
What are the key properties of 6-aminocyclohex-3-ene-1-carboxylic acid?
6-aminocyclohex-3-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 560139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).