dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate

C19H21NO5 — CID 12964338

IUPACdimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(N2CCOCC2)C=C1c1ccccc1
InChIInChI=1S/C19H21NO5/c1-23-18(21)16-14(13-6-4-3-5-7-13)12-15(17(16)19(22)24-2)20-8-10-25-11-9-20/h3-7,12,15H,8-11H2,1-2H3
InChIKeyVBEUJZZRRSOOLB-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.43
Rot. Bonds4

About dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate

dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate (PubChem CID 12964338) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate
PubChem CID12964338
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namedimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(N2CCOCC2)C=C1c1ccccc1
InChIInChI=1S/C19H21NO5/c1-23-18(21)16-14(13-6-4-3-5-7-13)12-15(17(16)19(22)24-2)20-8-10-25-11-9-20/h3-7,12,15H,8-11H2,1-2H3
InChIKeyVBEUJZZRRSOOLB-UHFFFAOYSA-N
XLogP1.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
methyl 2-methyl-5-oxo-3-phenyl-2H-furan-4-carboxylate
CID 165364058
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
tetramethyl 6-phenyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
CID 11841585
methyl 2-(bromo-methoxy-morpholin-4-ylmethyl)benzoate
CID 169323567
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
trimethyl 2,4,6,7-tetraphenylcyclohepta-1,4,6-triene-1,3,5-tricarboxylate
CID 132820007
methyl (1R,4S)-3,5,6-triphenyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 11610608
methyl 5-methyl-2-(morpholine-4-carbothioylamino)-4-phenylthiophene-3-carboxylate
CID 4511830

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate?
The IUPAC name of dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate (CID 12964338) is dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(N2CCOCC2)C=C1c1ccccc1.
What is the InChIKey of dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate?
The InChIKey is VBEUJZZRRSOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-18(21)16-14(13-6-4-3-5-7-13)12-15(17(16)19(22)24-2)20-8-10-25-11-9-20/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate?
dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate has a molecular weight of 343.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-morpholin-4-yl-3-phenylcyclopenta-1,3-diene-1,2-dicarboxylate is sourced from PubChem (CID 12964338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).