1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole

C10H13NO — CID 125458224

IUPAC1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole
SMILESCn1cccc1[C@]12CCC[C@H]1O2
InChIInChI=1S/C10H13NO/c1-11-7-3-4-8(11)10-6-2-5-9(10)12-10/h3-4,7,9H,2,5-6H2,1H3/t9-,10-/m1/s1
InChIKeyQGWJGKYSHOPBRD-NXEZZACHSA-N
MW163.22 g/mol
LogP1.80
Rot. Bonds1

About 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole

1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole (PubChem CID 125458224) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole
PubChem CID125458224
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole
SMILESCn1cccc1[C@]12CCC[C@H]1O2
InChIInChI=1S/C10H13NO/c1-11-7-3-4-8(11)10-6-2-5-9(10)12-10/h3-4,7,9H,2,5-6H2,1H3/t9-,10-/m1/s1
InChIKeyQGWJGKYSHOPBRD-NXEZZACHSA-N
XLogP1.80
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole?
The IUPAC name of 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole (CID 125458224) is 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole?
The canonical SMILES for 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole is Cn1cccc1[C@]12CCC[C@H]1O2.
What is the InChIKey of 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole?
The InChIKey is QGWJGKYSHOPBRD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-7-3-4-8(11)10-6-2-5-9(10)12-10/h3-4,7,9H,2,5-6H2,1H3/t9-,10-/m1/s1.
What are the key properties of 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole?
1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole has a molecular weight of 163.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole is sourced from PubChem (CID 125458224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).