methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde

C10H17NO3 — CID 143005650

IUPACmethane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde
SMILESC.COC.Cn1cc(C=O)cc1C=O
InChIInChI=1S/C7H7NO2.C2H6O.CH4/c1-8-3-6(4-9)2-7(8)5-10;1-3-2;/h2-5H,1H3;1-2H3;1H4
InChIKeyZOYQARXRKWVOSM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.55
Rot. Bonds2

About methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde

methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde (PubChem CID 143005650) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde.

Molecular Properties

Compound Namemethane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde
PubChem CID143005650
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde
SMILESC.COC.Cn1cc(C=O)cc1C=O
InChIInChI=1S/C7H7NO2.C2H6O.CH4/c1-8-3-6(4-9)2-7(8)5-10;1-3-2;/h2-5H,1H3;1-2H3;1H4
InChIKeyZOYQARXRKWVOSM-UHFFFAOYSA-N
XLogP1.55
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methylpyrrole-2,4-dicarbaldehyde
CID 12676271
ethyl (E)-3-(4-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 11148447
1-propan-2-ylpyrrole-2,4-dicarbaldehyde
CID 45096254
4-ethynyl-1-methylpyrrole-2-carbaldehyde
CID 155973810
4-(difluoromethyl)-1-methylpyrrole-2-carbaldehyde
CID 84650848
1-methyl-4-oxaldehydoylpyrrole-2-carbaldehyde
CID 144780086
4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde
CID 83488779
1-methyl-4-pentadecylpyrrole-2-carbaldehyde
CID 20503632
5-benzoyl-1-methylpyrrole-3-carbaldehyde
CID 10822468
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674
1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde
CID 86650822
5-dodecanoyl-1-methylpyrrole-3-carbaldehyde
CID 10589685

Frequently Asked Questions

What is the IUPAC name of methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde?
The IUPAC name of methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde (CID 143005650) is methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde.
What is the SMILES notation for methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde?
The canonical SMILES for methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde is C.COC.Cn1cc(C=O)cc1C=O.
What is the InChIKey of methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde?
The InChIKey is ZOYQARXRKWVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6O.CH4/c1-8-3-6(4-9)2-7(8)5-10;1-3-2;/h2-5H,1H3;1-2H3;1H4.
What are the key properties of methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde?
methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde is sourced from PubChem (CID 143005650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).