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

C12H13NO — CID 86127014

IUPAC5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2ccc3n2CCC3)o1
InChIInChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3
InChIKeySEBQZNHXPWYZSW-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.00
Rot. Bonds1

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

5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine (PubChem CID 86127014) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
PubChem CID86127014
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2ccc3n2CCC3)o1
InChIInChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3
InChIKeySEBQZNHXPWYZSW-UHFFFAOYSA-N
XLogP3.00
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine (CID 86127014) is 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine is Cc1ccc(-c2ccc3n2CCC3)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
The InChIKey is SEBQZNHXPWYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine?
5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine has a molecular weight of 187.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 86127014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).