ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C15H20N2O4 — CID 1438687

IUPACethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N(CC)CC
InChIInChI=1S/C15H20N2O4/c1-4-16(5-2)14(18)10-17-11-7-8-21-13(11)9-12(17)15(19)20-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyZRWDVVYBMQNVHF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.28
Rot. Bonds6

About ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438687) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438687
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N(CC)CC
InChIInChI=1S/C15H20N2O4/c1-4-16(5-2)14(18)10-17-11-7-8-21-13(11)9-12(17)15(19)20-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyZRWDVVYBMQNVHF-UHFFFAOYSA-N
XLogP2.28
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438687) is ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)N(CC)CC.
What is the InChIKey of ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZRWDVVYBMQNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-16(5-2)14(18)10-17-11-7-8-21-13(11)9-12(17)15(19)20-6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).