4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid

C11H15NO3 — CID 134570528

IUPAC4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C11H15NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,3-4,9H,2,5-8H2,(H,13,14)
InChIKeyLLPZPRKUANFBLN-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.86
Rot. Bonds2

About 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid

4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 134570528) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID134570528
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C11H15NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,3-4,9H,2,5-8H2,(H,13,14)
InChIKeyLLPZPRKUANFBLN-UHFFFAOYSA-N
XLogP0.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91114607
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CID 79688030
5-[4-(4-morpholin-4-ylphenyl)phenyl]triazolidine-4-carboxylic acid
CID 171664140
4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 163583531
4-[1-(2-phenylethyl)-2H-pyridin-4-yl]morpholine
CID 152540539
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
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CID 162262966
N-cyclopent-3-en-1-ylmorpholine-4-carboxamide
CID 115695442
3-morpholin-4-ylcyclohexa-1,3-dien-1-ol
CID 90443893
zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride
CID 159643901
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
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CID 67308530

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid (CID 134570528) is 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=CC(N2CCOCC2)=CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is LLPZPRKUANFBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,3-4,9H,2,5-8H2,(H,13,14).
What are the key properties of 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid?
4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 134570528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).