dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate

C16H23NO5 — CID 2908161

IUPACdimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCCC/C(N2CCOCC2)=C\1C(=O)OC
InChIInChI=1S/C16H23NO5/c1-20-15(18)12-6-4-3-5-7-13(14(12)16(19)21-2)17-8-10-22-11-9-17/h6H,3-5,7-11H2,1-2H3/b12-6?,14-13-
InChIKeyHWPRWHKLNQXFCR-CATLELAVSA-N
MW309.36 g/mol
LogP1.42
Rot. Bonds3

About dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate

dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate (PubChem CID 2908161) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate
PubChem CID2908161
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namedimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCCC/C(N2CCOCC2)=C\1C(=O)OC
InChIInChI=1S/C16H23NO5/c1-20-15(18)12-6-4-3-5-7-13(14(12)16(19)21-2)17-8-10-22-11-9-17/h6H,3-5,7-11H2,1-2H3/b12-6?,14-13-
InChIKeyHWPRWHKLNQXFCR-CATLELAVSA-N
XLogP1.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 3-methylcyclohexa-2,6-diene-1,2-dicarboxylate
CID 12842808
4-[(1Z)-cyclododecen-1-yl]morpholine
CID 11075926
methyl cyclododecene-1-carboxylate
CID 54564642
methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 170943303
methyl 2-fluoro-5-morpholin-4-yl-4-nitrobenzoate
CID 104699514
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 121224668
N-[2-(cyclohexen-1-yl)ethyl]-9-(2-methoxyethoxy)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912856
methyl 1-methyl-4-morpholin-4-ylpyrazole-5-carboxylate
CID 138110241
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858

Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate?
The IUPAC name of dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate (CID 2908161) is dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate is COC(=O)C1=CCCCC/C(N2CCOCC2)=C\1C(=O)OC.
What is the InChIKey of dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate?
The InChIKey is HWPRWHKLNQXFCR-CATLELAVSA-N. The full InChI is InChI=1S/C16H23NO5/c1-20-15(18)12-6-4-3-5-7-13(14(12)16(19)21-2)17-8-10-22-11-9-17/h6H,3-5,7-11H2,1-2H3/b12-6?,14-13-.
What are the key properties of dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate?
dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate has a molecular weight of 309.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate is sourced from PubChem (CID 2908161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).