3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole

C11H15NO — CID 24755165

IUPAC3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESc1c2c(n3c1COCC3)CCCC2
InChIInChI=1S/C11H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h7H,1-6,8H2
InChIKeyYEDSVPPFSCRNDL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds

About 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole

3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 24755165) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID24755165
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole
SMILESc1c2c(n3c1COCC3)CCCC2
InChIInChI=1S/C11H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h7H,1-6,8H2
InChIKeyYEDSVPPFSCRNDL-UHFFFAOYSA-N
XLogP1.90
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-dimethylamino)propyl)-, hydrochloride
CID 3043832
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-dimethylamino)ethyl)-, hydrochloride
CID 3043874
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-methylamino)ethyl)-, hydrobromide
CID 3043822
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride
CID 3042670
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-methylamino)propyl)-, hydrochloride
CID 3043818
1H-(1,4)-Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-ethylamino)ethyl)-, hydrobromide
CID 3043824
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-(3-aminopropyl)-, hydrochloride
CID 3043830
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(2-(dimethylamino)ethyl)-, hydrochloride
CID 3044867
(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043823
(1S,3S)-3,10-dimethyl-1-[4-(2-methylpropyl)phenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127044015
(1S,3S)-1-(4-tert-butylphenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127044016
(1R,3S)-1-(4-ethylphenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127045023

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole (CID 24755165) is 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole is c1c2c(n3c1COCC3)CCCC2.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is YEDSVPPFSCRNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11/h7H,1-6,8H2.
What are the key properties of 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole?
3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 177.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 24755165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).