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

C7H11NO2 — CID 45089117

IUPAC1-aminocyclohex-3-ene-1-carboxylic acid
SMILESNC1(C(=O)O)CC=CCC1
InChIInChI=1S/C7H11NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-2H,3-5,8H2,(H,9,10)
InChIKeyHAVSRNLHAJYMOO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.51
Rot. Bonds1

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

1-aminocyclohex-3-ene-1-carboxylic acid (PubChem CID 45089117) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-aminocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclohex-3-ene-1-carboxylic acid
PubChem CID45089117
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-aminocyclohex-3-ene-1-carboxylic acid
SMILESNC1(C(=O)O)CC=CCC1
InChIInChI=1S/C7H11NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-2H,3-5,8H2,(H,9,10)
InChIKeyHAVSRNLHAJYMOO-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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 1-aminocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 1-aminocyclohex-3-ene-1-carboxylic acid (CID 45089117) is 1-aminocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 1-aminocyclohex-3-ene-1-carboxylic acid is NC1(C(=O)O)CC=CCC1.
What is the InChIKey of 1-aminocyclohex-3-ene-1-carboxylic acid?
The InChIKey is HAVSRNLHAJYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-2H,3-5,8H2,(H,9,10).
What are the key properties of 1-aminocyclohex-3-ene-1-carboxylic acid?
1-aminocyclohex-3-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 45089117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).