(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

C14H13NO6 — CID 9385786

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(C(C)=O)c[nH]2)o1
InChIInChI=1S/C14H13NO6/c1-8(16)9-5-11(15-6-9)13(17)20-7-10-3-4-12(21-10)14(18)19-2/h3-6,15H,7H2,1-2H3
InChIKeyPFXVVNXZLCELMK-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.95
Rot. Bonds5

About (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (PubChem CID 9385786) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
PubChem CID9385786
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(C(C)=O)c[nH]2)o1
InChIInChI=1S/C14H13NO6/c1-8(16)9-5-11(15-6-9)13(17)20-7-10-3-4-12(21-10)14(18)19-2/h3-6,15H,7H2,1-2H3
InChIKeyPFXVVNXZLCELMK-UHFFFAOYSA-N
XLogP1.95
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
(2,6-dichlorophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385397
(2-cyanophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386135
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 24649039
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (CID 9385786) is (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(C(C)=O)c[nH]2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The InChIKey is PFXVVNXZLCELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-8(16)9-5-11(15-6-9)13(17)20-7-10-3-4-12(21-10)14(18)19-2/h3-6,15H,7H2,1-2H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate has a molecular weight of 291.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 9385786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).