7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C12H12FNO — CID 122666947

IUPAC7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3cc(F)ccc13)CCOC2
InChIInChI=1S/C12H12FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyUTGSOAYUDVTNPQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.62
Rot. Bonds

About 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 122666947) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID122666947
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3cc(F)ccc13)CCOC2
InChIInChI=1S/C12H12FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2-3,6H,4-5,7H2,1H3
InChIKeyUTGSOAYUDVTNPQ-UHFFFAOYSA-N
XLogP2.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 122666947) is 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is Cc1c2n(c3cc(F)ccc13)CCOC2.
What is the InChIKey of 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is UTGSOAYUDVTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 205.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 122666947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).