6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine

C13H15NO — CID 86127314

IUPAC6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2c(C)cc3n2CCC3)o1
InChIInChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLDTMEECXWUGWBZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.31
Rot. Bonds1

About 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine

6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine (PubChem CID 86127314) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
PubChem CID86127314
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2c(C)cc3n2CCC3)o1
InChIInChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLDTMEECXWUGWBZ-UHFFFAOYSA-N
XLogP3.31
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine (CID 86127314) is 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine is Cc1ccc(-c2c(C)cc3n2CCC3)o1.
What is the InChIKey of 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The InChIKey is LDTMEECXWUGWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine has a molecular weight of 201.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 86127314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).