methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate

C14H17NO4 — CID 134153628

IUPACmethyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C14H17NO4/c1-14(2,3)12(16)8-15-9-5-6-19-11(9)7-10(15)13(17)18-4/h5-7H,8H2,1-4H3
InChIKeyHQQUYSSJKMGPAB-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.64
Rot. Bonds3

About methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate

methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 134153628) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
PubChem CID134153628
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)C(C)(C)C
InChIInChI=1S/C14H17NO4/c1-14(2,3)12(16)8-15-9-5-6-19-11(9)7-10(15)13(17)18-4/h5-7H,8H2,1-4H3
InChIKeyHQQUYSSJKMGPAB-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate (CID 134153628) is methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)C(C)(C)C.
What is the InChIKey of methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HQQUYSSJKMGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,3)12(16)8-15-9-5-6-19-11(9)7-10(15)13(17)18-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,3-dimethyl-2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 134153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).