2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one

C13H14N2O2 — CID 13285707

IUPAC2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one
SMILESCn1c2c(c3ccccc31)OC(C)(C)NC2=O
InChIInChI=1S/C13H14N2O2/c1-13(2)14-12(16)10-11(17-13)8-6-4-5-7-9(8)15(10)3/h4-7H,1-3H3,(H,14,16)
InChIKeyCLHCDPRYXKGNHJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds

About 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one

2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one (PubChem CID 13285707) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one.

Molecular Properties

Compound Name2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one
PubChem CID13285707
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one
SMILESCn1c2c(c3ccccc31)OC(C)(C)NC2=O
InChIInChI=1S/C13H14N2O2/c1-13(2)14-12(16)10-11(17-13)8-6-4-5-7-9(8)15(10)3/h4-7H,1-3H3,(H,14,16)
InChIKeyCLHCDPRYXKGNHJ-UHFFFAOYSA-N
XLogP2.04
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
(2S)-2,3,3,5-tetramethyl-2H-furo[3,2-c]quinolin-4-one
CID 162943757
(3S)-3-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 57340431
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
1-methyl-3-methylsulfonyl-2-phenylindole
CID 102275352
2,9-dimethyl-2-phenyl-3H-furo[2,3-b]quinolin-4-one
CID 12007220
1-methyl-2,3-diphenylindole
CID 11426096
ethane;bis(9-methylcarbazole)
CID 159710949
(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 7081551
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione
CID 162921841

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one?
The IUPAC name of 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one (CID 13285707) is 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one.
What is the SMILES notation for 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one?
The canonical SMILES for 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one is Cn1c2c(c3ccccc31)OC(C)(C)NC2=O.
What is the InChIKey of 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one?
The InChIKey is CLHCDPRYXKGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(2)14-12(16)10-11(17-13)8-6-4-5-7-9(8)15(10)3/h4-7H,1-3H3,(H,14,16).
What are the key properties of 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one?
2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one has a molecular weight of 230.27 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one is sourced from PubChem (CID 13285707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).