acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole

C14H23NO2 — CID 144686175

IUPACacetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole
SMILESCC.CC=O.COc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C10H13NO.C2H4O.C2H6/c1-11-6-8-3-4-10(12-2)5-9(8)7-11;1-2-3;1-2/h3-5H,6-7H2,1-2H3;2H,1H3;1-2H3
InChIKeyZKUWOHYBZZXTIR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.87
Rot. Bonds1

About acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole

acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole (PubChem CID 144686175) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Nameacetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole
PubChem CID144686175
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameacetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole
SMILESCC.CC=O.COc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C10H13NO.C2H4O.C2H6/c1-11-6-8-3-4-10(12-2)5-9(8)7-11;1-2-3;1-2/h3-5H,6-7H2,1-2H3;2H,1H3;1-2H3
InChIKeyZKUWOHYBZZXTIR-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081
5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
CID 176913255
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
1-[(1Z)-buta-1,3-dienyl]-2-ethylbenzene;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 143907152
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 101104166
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole?
The IUPAC name of acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole (CID 144686175) is acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole is CC.CC=O.COc1ccc2c(c1)CN(C)C2.
What is the InChIKey of acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole?
The InChIKey is ZKUWOHYBZZXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H4O.C2H6/c1-11-6-8-3-4-10(12-2)5-9(8)7-11;1-2-3;1-2/h3-5H,6-7H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole?
acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole has a molecular weight of 237.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 144686175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).