3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine

C14H23NO — CID 62753373

IUPAC3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(C2(C)CCNC2CC(C)C)o1
InChIInChI=1S/C14H23NO/c1-10(2)9-12-14(4,7-8-15-12)13-6-5-11(3)16-13/h5-6,10,12,15H,7-9H2,1-4H3
InChIKeyCMTITFRGSQMQIF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.25
Rot. Bonds3

About 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine

3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 62753373) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine
PubChem CID62753373
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(C2(C)CCNC2CC(C)C)o1
InChIInChI=1S/C14H23NO/c1-10(2)9-12-14(4,7-8-15-12)13-6-5-11(3)16-13/h5-6,10,12,15H,7-9H2,1-4H3
InChIKeyCMTITFRGSQMQIF-UHFFFAOYSA-N
XLogP3.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine (CID 62753373) is 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine is Cc1ccc(C2(C)CCNC2CC(C)C)o1.
What is the InChIKey of 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is CMTITFRGSQMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)9-12-14(4,7-8-15-12)13-6-5-11(3)16-13/h5-6,10,12,15H,7-9H2,1-4H3.
What are the key properties of 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine?
3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62753373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).