1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one

C18H25NO3 — CID 171562818

IUPAC1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one
SMILESCC1C(=O)C=CC2CCN(C)C21.COc1ccccc1OC
InChIInChI=1S/C10H15NO.C8H10O2/c1-7-9(12)4-3-8-5-6-11(2)10(7)8;1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8,10H,5-6H2,1-2H3;3-6H,1-2H3
InChIKeyMBUXJNMEARAGMM-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.79
Rot. Bonds2

About 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one

1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one (PubChem CID 171562818) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one.

Molecular Properties

Compound Name1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one
PubChem CID171562818
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one
SMILESCC1C(=O)C=CC2CCN(C)C21.COc1ccccc1OC
InChIInChI=1S/C10H15NO.C8H10O2/c1-7-9(12)4-3-8-5-6-11(2)10(7)8;1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8,10H,5-6H2,1-2H3;3-6H,1-2H3
InChIKeyMBUXJNMEARAGMM-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxybenzene;1-ethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one
CID 177037126
1,2-dimethoxybenzene;4-methyl-3,3a,5,6,6a,6b-hexahydro-1aH-oxireno[2,3-e]indol-2-one
CID 171567428
1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen
CID 171567392
(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
1,2-dimethoxybenzene;7-ethyl-1,7-dimethyl-2,3,3a,4,5,7a-hexahydroindol-6-one
CID 171567506
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
(3S,8aR)-2-[3-(2-methoxyphenoxy)propyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165418413
(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56911529

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one?
The IUPAC name of 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one (CID 171562818) is 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one.
What is the SMILES notation for 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one?
The canonical SMILES for 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one is CC1C(=O)C=CC2CCN(C)C21.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one?
The InChIKey is MBUXJNMEARAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C8H10O2/c1-7-9(12)4-3-8-5-6-11(2)10(7)8;1-9-7-5-3-4-6-8(7)10-2/h3-4,7-8,10H,5-6H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one?
1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one has a molecular weight of 303.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;1,7-dimethyl-3,3a,7,7a-tetrahydro-2H-indol-6-one is sourced from PubChem (CID 171562818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).