10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

C12H15NO — CID 163470832

IUPAC10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3c1=CCCC=3)CCOC2
InChIInChI=1S/C12H15NO/c1-9-10-4-2-3-5-11(10)13-6-7-14-8-12(9)13/h4-5H,2-3,6-8H2,1H3
InChIKeyBWKPSKHMCUJGIS-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.68
Rot. Bonds

About 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole

10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 163470832) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID163470832
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCc1c2n(c3c1=CCCC=3)CCOC2
InChIInChI=1S/C12H15NO/c1-9-10-4-2-3-5-11(10)13-6-7-14-8-12(9)13/h4-5H,2-3,6-8H2,1H3
InChIKeyBWKPSKHMCUJGIS-UHFFFAOYSA-N
XLogP0.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole (CID 163470832) is 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is Cc1c2n(c3c1=CCCC=3)CCOC2.
What is the InChIKey of 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is BWKPSKHMCUJGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-10-4-2-3-5-11(10)13-6-7-14-8-12(9)13/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole?
10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 189.26 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 163470832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).