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

C15H25NO2 — CID 79087922

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CN3CCCC3CO2)CC1
InChIInChI=1S/C15H25NO2/c1-11-4-6-12(7-5-11)15(17)14-9-16-8-2-3-13(16)10-18-14/h11-14H,2-10H2,1H3
InChIKeyVDJVDDIUACLMSG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone (PubChem CID 79087922) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone
PubChem CID79087922
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CN3CCCC3CO2)CC1
InChIInChI=1S/C15H25NO2/c1-11-4-6-12(7-5-11)15(17)14-9-16-8-2-3-13(16)10-18-14/h11-14H,2-10H2,1H3
InChIKeyVDJVDDIUACLMSG-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
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-(4-methylcyclohexyl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone (CID 79087922) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)C2CN3CCCC3CO2)CC1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone?
The InChIKey is VDJVDDIUACLMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-4-6-12(7-5-11)15(17)14-9-16-8-2-3-13(16)10-18-14/h11-14H,2-10H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone has a molecular weight of 251.37 g/mol, XLogP of 2.24, 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-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 79087922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).