ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

C13H24N2O — CID 145047599

IUPACethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC.CC.COc1ccc2c(n1)CN(C)C2
InChIInChI=1S/C9H12N2O.2C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;2*1-2/h3-4H,5-6H2,1-2H3;2*1-2H3
InChIKeyBFLNRVLKEVKLOA-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.09
Rot. Bonds1

About ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 145047599) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID145047599
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC.CC.COc1ccc2c(n1)CN(C)C2
InChIInChI=1S/C9H12N2O.2C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;2*1-2/h3-4H,5-6H2,1-2H3;2*1-2H3
InChIKeyBFLNRVLKEVKLOA-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047554
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
2-methoxy-5,7-dihydrofuro[3,4-b]pyridine
CID 23423825
2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 118974412
6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
CID 68624694
4-(2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219503
6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine
CID 83005986
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid
CID 83841925
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone
CID 110876371
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
ethane;2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methylethanamine
CID 162389171

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 145047599) is ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is CC.CC.COc1ccc2c(n1)CN(C)C2.
What is the InChIKey of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is BFLNRVLKEVKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;2*1-2/h3-4H,5-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 224.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 145047599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).