(2S)-2-(5-methylfuran-2-yl)pyrrolidine

C9H13NO — CID 7141654

IUPAC(2S)-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyLGGXPKQFJZIICN-QMMMGPOBSA-N
MW151.21 g/mol
LogP2.01
Rot. Bonds1

About (2S)-2-(5-methylfuran-2-yl)pyrrolidine

(2S)-2-(5-methylfuran-2-yl)pyrrolidine (PubChem CID 7141654) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)pyrrolidine
PubChem CID7141654
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2S)-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyLGGXPKQFJZIICN-QMMMGPOBSA-N
XLogP2.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)pyrrolidine?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)pyrrolidine (CID 7141654) is (2S)-2-(5-methylfuran-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)pyrrolidine is Cc1ccc([C@@H]2CCCN2)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)pyrrolidine?
The InChIKey is LGGXPKQFJZIICN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)pyrrolidine?
(2S)-2-(5-methylfuran-2-yl)pyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)pyrrolidine is sourced from PubChem (CID 7141654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).