4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid

C11H17NO3 — CID 118578822

IUPAC4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C11H17NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h3,9H,1-2,4-8H2,(H,13,14)
InChIKeyHORAFVOMSUYXGO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.09
Rot. Bonds2

About 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid

4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 118578822) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID118578822
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C11H17NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h3,9H,1-2,4-8H2,(H,13,14)
InChIKeyHORAFVOMSUYXGO-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid (CID 118578822) is 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=C(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is HORAFVOMSUYXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h3,9H,1-2,4-8H2,(H,13,14).
What are the key properties of 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 118578822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).