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

C14H18FNO — CID 145177334

IUPACethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC.Cc1c2n(c3cc(F)ccc13)CCOC2
InChIInChI=1S/C12H12FNO.C2H6/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3
InChIKeyAMZLZXPBGKFJCO-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.65
Rot. Bonds

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

ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 145177334) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Nameethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID145177334
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Nameethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCC.Cc1c2n(c3cc(F)ccc13)CCOC2
InChIInChI=1S/C12H12FNO.C2H6/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3
InChIKeyAMZLZXPBGKFJCO-UHFFFAOYSA-N
XLogP3.65
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.65
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 ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 145177334) is ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is CC.Cc1c2n(c3cc(F)ccc13)CCOC2.
What is the InChIKey of ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is AMZLZXPBGKFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO.C2H6/c1-8-10-3-2-9(13)6-11(10)14-4-5-15-7-12(8)14;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 235.30 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 145177334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).