sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C13H10NNaO4 — CID 23713914

IUPACsodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESO=C(c1ccoc1)c1ccc2n1CCC2C(=O)[O-].[Na+]
InChIInChI=1S/C13H11NO4.Na/c15-12(8-4-6-18-7-8)11-2-1-10-9(13(16)17)3-5-14(10)11;/h1-2,4,6-7,9H,3,5H2,(H,16,17);/q;+1/p-1
InChIKeyGSVXBWAZMYSUAR-UHFFFAOYSA-M
MW267.22 g/mol
LogP-2.45
Rot. Bonds3

About sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 23713914) has the molecular formula C13H10NNaO4 and a molecular weight of 267.22 g/mol. Its IUPAC name is sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Namesodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID23713914
Molecular FormulaC13H10NNaO4
Molecular Weight267.22 g/mol
Exact Mass267.05
IUPAC Namesodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESO=C(c1ccoc1)c1ccc2n1CCC2C(=O)[O-].[Na+]
InChIInChI=1S/C13H11NO4.Na/c15-12(8-4-6-18-7-8)11-2-1-10-9(13(16)17)3-5-14(10)11;/h1-2,4,6-7,9H,3,5H2,(H,16,17);/q;+1/p-1
InChIKeyGSVXBWAZMYSUAR-UHFFFAOYSA-M
XLogP-2.45
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 23713914) is sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is O=C(c1ccoc1)c1ccc2n1CCC2C(=O)[O-].[Na+].
What is the InChIKey of sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is GSVXBWAZMYSUAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO4.Na/c15-12(8-4-6-18-7-8)11-2-1-10-9(13(16)17)3-5-14(10)11;/h1-2,4,6-7,9H,3,5H2,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 267.22 g/mol, XLogP of -2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 23713914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).