2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one

C15H25NO2 — CID 62614041

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCOC3CCCC32)C1
InChIInChI=1S/C15H25NO2/c1-11-5-6-14(17)12(9-11)10-16-7-8-18-15-4-2-3-13(15)16/h11-13,15H,2-10H2,1H3
InChIKeyULRTXYQCYJSNQO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds2

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one (PubChem CID 62614041) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one
PubChem CID62614041
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCOC3CCCC32)C1
InChIInChI=1S/C15H25NO2/c1-11-5-6-14(17)12(9-11)10-16-7-8-18-15-4-2-3-13(15)16/h11-13,15H,2-10H2,1H3
InChIKeyULRTXYQCYJSNQO-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 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one (CID 62614041) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one is CC1CCC(=O)C(CN2CCOC3CCCC32)C1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one?
The InChIKey is ULRTXYQCYJSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-5-6-14(17)12(9-11)10-16-7-8-18-15-4-2-3-13(15)16/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one 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 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-methylcyclohexan-1-one is sourced from PubChem (CID 62614041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).