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

C12H14N2O — CID 96619337

IUPAC2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3c(cc2o1)CNC3
InChIInChI=1S/C12H14N2O/c1-7(2)12-14-10-3-8-5-13-6-9(8)4-11(10)15-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyJMHYICVKHSPEJF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.55
Rot. Bonds1

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

2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole (PubChem CID 96619337) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
PubChem CID96619337
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3c(cc2o1)CNC3
InChIInChI=1S/C12H14N2O/c1-7(2)12-14-10-3-8-5-13-6-9(8)4-11(10)15-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyJMHYICVKHSPEJF-UHFFFAOYSA-N
XLogP2.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole (CID 96619337) is 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole is CC(C)c1nc2cc3c(cc2o1)CNC3.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
The InChIKey is JMHYICVKHSPEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(2)12-14-10-3-8-5-13-6-9(8)4-11(10)15-12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole?
2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole has a molecular weight of 202.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole is sourced from PubChem (CID 96619337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).