ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate

C14H15N3O5 — CID 177199596

IUPACethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate
SMILESCCOC(=O)C1=N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C=C1
InChIInChI=1S/C14H15N3O5/c1-4-22-13(20)10-6-5-8(15-10)7-9-11(18)16(2)14(21)17(3)12(9)19/h5-7,18H,4H2,1-3H3/b8-7-
InChIKeyDDXMTNSBPXAMBA-FPLPWBNLSA-N
MW305.29 g/mol
LogP-0.30
Rot. Bonds3

About ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate

ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate (PubChem CID 177199596) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate
PubChem CID177199596
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Nameethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate
SMILESCCOC(=O)C1=N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C=C1
InChIInChI=1S/C14H15N3O5/c1-4-22-13(20)10-6-5-8(15-10)7-9-11(18)16(2)14(21)17(3)12(9)19/h5-7,18H,4H2,1-3H3/b8-7-
InChIKeyDDXMTNSBPXAMBA-FPLPWBNLSA-N
XLogP-0.30
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-5-methylthiophene-3-carboxylate
CID 135681103
ethyl 5-ethyl-2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]thiophene-3-carboxylate
CID 135681106
methyl (3E)-3-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indole-2-carboxylate
CID 135478081
ethyl 2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 135439826
ethyl 2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 135681111
ethyl 2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-4-phenylthiophene-3-carboxylate
CID 135681107
(5-ethoxycarbonylpyrrol-2-ylidene)methylideneazanide
CID 86325334
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996
5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135473984
6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
CID 101179925
N-[2-[(2Z)-2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-7-methylindol-3-yl]ethyl]butanamide
CID 135795778

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate?
The IUPAC name of ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate (CID 177199596) is ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate?
The canonical SMILES for ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate is CCOC(=O)C1=N/C(=C\c2c(O)n(C)c(=O)n(C)c2=O)C=C1.
What is the InChIKey of ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate?
The InChIKey is DDXMTNSBPXAMBA-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-4-22-13(20)10-6-5-8(15-10)7-9-11(18)16(2)14(21)17(3)12(9)19/h5-7,18H,4H2,1-3H3/b8-7-.
What are the key properties of ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate?
ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]pyrrole-2-carboxylate is sourced from PubChem (CID 177199596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).