ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C17H24N2O6 — CID 143939713

IUPACethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC.O=C(CN1CCOCC1)OCCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C15H18N2O6.C2H6/c18-14(10-17-2-5-20-6-3-17)22-7-8-23-15(19)12-9-13-11(16-12)1-4-21-13;1-2/h1,4,9,16H,2-3,5-8,10H2;1-2H3
InChIKeyWHZFMPMTSBXDPU-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.82
Rot. Bonds6

About ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 143939713) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID143939713
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Nameethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC.O=C(CN1CCOCC1)OCCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C15H18N2O6.C2H6/c18-14(10-17-2-5-20-6-3-17)22-7-8-23-15(19)12-9-13-11(16-12)1-4-21-13;1-2/h1,4,9,16H,2-3,5-8,10H2;1-2H3
InChIKeyWHZFMPMTSBXDPU-UHFFFAOYSA-N
XLogP1.82
TPSA94.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 143939713) is ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CC.O=C(CN1CCOCC1)OCCOC(=O)c1cc2occc2[nH]1.
What is the InChIKey of ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is WHZFMPMTSBXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6.C2H6/c18-14(10-17-2-5-20-6-3-17)22-7-8-23-15(19)12-9-13-11(16-12)1-4-21-13;1-2/h1,4,9,16H,2-3,5-8,10H2;1-2H3.
What are the key properties of ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 143939713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).