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

C16H27NO2 — CID 79078019

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1CN2CCCC2CO1
InChIInChI=1S/C16H27NO2/c1-2-12-6-3-4-8-14(12)16(18)15-10-17-9-5-7-13(17)11-19-15/h12-15H,2-11H2,1H3
InChIKeyWGWJGVDNMYUPEX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds3

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone (PubChem CID 79078019) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone
PubChem CID79078019
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1CN2CCCC2CO1
InChIInChI=1S/C16H27NO2/c1-2-12-6-3-4-8-14(12)16(18)15-10-17-9-5-7-13(17)11-19-15/h12-15H,2-11H2,1H3
InChIKeyWGWJGVDNMYUPEX-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(3S)-3-acetyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]-1-[(3S)-4-methylmorpholin-3-yl]ethanone
CID 156374279
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62708295
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-3,5-dimethylcyclohexan-1-one
CID 64736784
(2-Ethylcyclohexyl)-(4-methylmorpholin-2-yl)methanone
CID 79077403
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methylpentan-1-one
CID 79077627
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)nonan-1-one
CID 79077723
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methylcyclohexyl)methanone
CID 79077912
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)octan-1-one
CID 79077917
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)undecan-1-one
CID 79078013
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)heptan-1-one
CID 79078020
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylpentan-1-one
CID 79078021
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-one
CID 79078022

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone (CID 79078019) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone is CCC1CCCCC1C(=O)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone?
The InChIKey is WGWJGVDNMYUPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-12-6-3-4-8-14(12)16(18)15-10-17-9-5-7-13(17)11-19-15/h12-15H,2-11H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone has a molecular weight of 265.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone is sourced from PubChem (CID 79078019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).