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

C14H23NO2 — CID 79087925

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H23NO2/c16-14(11-5-2-1-3-6-11)13-9-15-8-4-7-12(15)10-17-13/h11-13H,1-10H2
InChIKeyCFPPKMCDTHSSBD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.00
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone (PubChem CID 79087925) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone
PubChem CID79087925
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H23NO2/c16-14(11-5-2-1-3-6-11)13-9-15-8-4-7-12(15)10-17-13/h11-13H,1-10H2
InChIKeyCFPPKMCDTHSSBD-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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(cyclohexyl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone (CID 79087925) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone is O=C(C1CCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone?
The InChIKey is CFPPKMCDTHSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(11-5-2-1-3-6-11)13-9-15-8-4-7-12(15)10-17-13/h11-13H,1-10H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.00, 2 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(cyclohexyl)methanone is sourced from PubChem (CID 79087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).