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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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).