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

C15H27NO2 — CID 107008633

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CN2CCCC2CO1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-9-14(17)15-11-16-10-7-8-13(16)12-18-15/h2,13-15,17H,1,3-12H2
InChIKeyPRESILAGHNEIMP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds7

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol (PubChem CID 107008633) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol
PubChem CID107008633
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CN2CCCC2CO1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-9-14(17)15-11-16-10-7-8-13(16)12-18-15/h2,13-15,17H,1,3-12H2
InChIKeyPRESILAGHNEIMP-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aR,6S,7S,7aR)-2,2-dimethyl-5,6-bis(prop-2-enyl)-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrol-7-ol
CID 139051612
(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
(5S,6S,8aR)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 139195362
(5R,6R,7R,7aR)-5-prop-2-enyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-6,7-diol
CID 172263974
3-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 5231831
5-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 5231832
(2R,3R,8aS)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 10976110
(5R,6R,8aS)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 12087832
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pent-4-en-1-ol
CID 79086906
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)hex-5-en-1-ol
CID 79086907
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)hexan-1-ol
CID 79087306
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)nonan-1-ol
CID 79087401

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)oct-7-en-1-ol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol (CID 107008633) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol is C=CCCCCCC(O)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol?
The InChIKey is PRESILAGHNEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-9-14(17)15-11-16-10-7-8-13(16)12-18-15/h2,13-15,17H,1,3-12H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)oct-7-en-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 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)oct-7-en-1-ol is sourced from PubChem (CID 107008633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).