furan-2-yl (2S)-pyrrolidine-2-carboxylate

C9H11NO3 — CID 90119612

IUPACfuran-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccco1)[C@@H]1CCCN1
InChIInChI=1S/C9H11NO3/c11-9(7-3-1-5-10-7)13-8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1
InChIKeyQZJWHCMWNMGPCI-ZETCQYMHSA-N
MW181.19 g/mol
LogP0.94
Rot. Bonds2

About furan-2-yl (2S)-pyrrolidine-2-carboxylate

furan-2-yl (2S)-pyrrolidine-2-carboxylate (PubChem CID 90119612) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is furan-2-yl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namefuran-2-yl (2S)-pyrrolidine-2-carboxylate
PubChem CID90119612
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namefuran-2-yl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccco1)[C@@H]1CCCN1
InChIInChI=1S/C9H11NO3/c11-9(7-3-1-5-10-7)13-8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1
InChIKeyQZJWHCMWNMGPCI-ZETCQYMHSA-N
XLogP0.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of furan-2-yl (2S)-pyrrolidine-2-carboxylate (CID 90119612) is furan-2-yl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for furan-2-yl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for furan-2-yl (2S)-pyrrolidine-2-carboxylate is O=C(Oc1ccco1)[C@@H]1CCCN1.
What is the InChIKey of furan-2-yl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is QZJWHCMWNMGPCI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(7-3-1-5-10-7)13-8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1.
What are the key properties of furan-2-yl (2S)-pyrrolidine-2-carboxylate?
furan-2-yl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 90119612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).