2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole

C13H14N2O — CID 96612054

IUPAC2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
SMILESc1c2c(cc3oc(C4CCC4)nc13)CNC2
InChIInChI=1S/C13H14N2O/c1-2-8(3-1)13-15-11-4-9-6-14-7-10(9)5-12(11)16-13/h4-5,8,14H,1-3,6-7H2
InChIKeyKOADMXSIULTAEK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.70
Rot. Bonds1

About 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole

2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole (PubChem CID 96612054) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
PubChem CID96612054
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
SMILESc1c2c(cc3oc(C4CCC4)nc13)CNC2
InChIInChI=1S/C13H14N2O/c1-2-8(3-1)13-15-11-4-9-6-14-7-10(9)5-12(11)16-13/h4-5,8,14H,1-3,6-7H2
InChIKeyKOADMXSIULTAEK-UHFFFAOYSA-N
XLogP2.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The IUPAC name of 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole (CID 96612054) is 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole.
What is the SMILES notation for 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The canonical SMILES for 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole is c1c2c(cc3oc(C4CCC4)nc13)CNC2.
What is the InChIKey of 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The InChIKey is KOADMXSIULTAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-8(3-1)13-15-11-4-9-6-14-7-10(9)5-12(11)16-13/h4-5,8,14H,1-3,6-7H2.
What are the key properties of 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole has a molecular weight of 214.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole is sourced from PubChem (CID 96612054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).