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

C14H23NO2 — CID 79087258

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H23NO2/c16-13(8-11-4-1-2-5-11)14-9-15-7-3-6-12(15)10-17-14/h11-12,14H,1-10H2
InChIKeySRUIWFNLEIYESI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.00
Rot. Bonds3

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone (PubChem CID 79087258) has the molecular formula C14H23NO2 and a molecular weight of 237.34 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-cyclopentylethanone.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone
PubChem CID79087258
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H23NO2/c16-13(8-11-4-1-2-5-11)14-9-15-7-3-6-12(15)10-17-14/h11-12,14H,1-10H2
InChIKeySRUIWFNLEIYESI-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone (CID 79087258) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone.
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-cyclopentylethanone?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone is O=C(CC1CCCC1)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-cyclopentylethanone?
The InChIKey is SRUIWFNLEIYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13(8-11-4-1-2-5-11)14-9-15-7-3-6-12(15)10-17-14/h11-12,14H,1-10H2.
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-cyclopentylethanone?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanone has a molecular weight of 237.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 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-cyclopentylethanone is sourced from PubChem (CID 79087258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).