(2S)-2-(furan-2-yl)-1-methylpyrrolidine

C9H13NO — CID 24894514

IUPAC(2S)-2-(furan-2-yl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1c1ccco1
InChIInChI=1S/C9H13NO/c1-10-6-2-4-8(10)9-5-3-7-11-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyKMVFIIBYOFOADI-QMMMGPOBSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds1

About (2S)-2-(furan-2-yl)-1-methylpyrrolidine

(2S)-2-(furan-2-yl)-1-methylpyrrolidine (PubChem CID 24894514) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1-methylpyrrolidine
PubChem CID24894514
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2S)-2-(furan-2-yl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1c1ccco1
InChIInChI=1S/C9H13NO/c1-10-6-2-4-8(10)9-5-3-7-11-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyKMVFIIBYOFOADI-QMMMGPOBSA-N
XLogP2.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(furan-2-yl)-1-methylpyrrolidine (CID 24894514) is (2S)-2-(furan-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(furan-2-yl)-1-methylpyrrolidine is CN1CCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1-methylpyrrolidine?
The InChIKey is KMVFIIBYOFOADI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-6-2-4-8(10)9-5-3-7-11-9/h3,5,7-8H,2,4,6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1-methylpyrrolidine?
(2S)-2-(furan-2-yl)-1-methylpyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 24894514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).