2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine

C12H17NO — CID 112714948

IUPAC2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
SMILESCc1ccc(C2(C3CCCN3)CC2)o1
InChIInChI=1S/C12H17NO/c1-9-4-5-11(14-9)12(6-7-12)10-3-2-8-13-10/h4-5,10,13H,2-3,6-8H2,1H3
InChIKeyKNLWRCJAIMRIAZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.37
Rot. Bonds2

About 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine

2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine (PubChem CID 112714948) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
PubChem CID112714948
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
SMILESCc1ccc(C2(C3CCCN3)CC2)o1
InChIInChI=1S/C12H17NO/c1-9-4-5-11(14-9)12(6-7-12)10-3-2-8-13-10/h4-5,10,13H,2-3,6-8H2,1H3
InChIKeyKNLWRCJAIMRIAZ-UHFFFAOYSA-N
XLogP2.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine (CID 112714948) is 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine is Cc1ccc(C2(C3CCCN3)CC2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine?
The InChIKey is KNLWRCJAIMRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-5-11(14-9)12(6-7-12)10-3-2-8-13-10/h4-5,10,13H,2-3,6-8H2,1H3.
What are the key properties of 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine?
2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine is sourced from PubChem (CID 112714948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).