1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol

C15H19Cl2NO2 — CID 79087210

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)C1CN2CCCC2CO1
InChIInChI=1S/C15H19Cl2NO2/c16-12-4-3-10(6-13(12)17)7-14(19)15-8-18-5-1-2-11(18)9-20-15/h3-4,6,11,14-15,19H,1-2,5,7-9H2
InChIKeyVAVIVZAYCFUVKT-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.76
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 79087210) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID79087210
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)C1CN2CCCC2CO1
InChIInChI=1S/C15H19Cl2NO2/c16-12-4-3-10(6-13(12)17)7-14(19)15-8-18-5-1-2-11(18)9-20-15/h3-4,6,11,14-15,19H,1-2,5,7-9H2
InChIKeyVAVIVZAYCFUVKT-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-iodophenyl)ethanol
CID 79087505
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618123
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 79702170
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895187
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanol
CID 83174692
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79087594
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79087409
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chlorophenyl)ethanamine
CID 79088673
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008341
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 79094360
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butan-1-ol
CID 79087211
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 79087408

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol (CID 79087210) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is VAVIVZAYCFUVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-12-4-3-10(6-13(12)17)7-14(19)15-8-18-5-1-2-11(18)9-20-15/h3-4,6,11,14-15,19H,1-2,5,7-9H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 316.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 79087210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).