1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C17H26N2O2 — CID 79071653

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1CC1CN3CCCC3CO1)CCCC2O
InChIInChI=1S/C17H26N2O2/c1-12-8-15-16(5-2-6-17(15)20)19(12)10-14-9-18-7-3-4-13(18)11-21-14/h8,13-14,17,20H,2-7,9-11H2,1H3
InChIKeyDAHBGWULBLBLDH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.03
Rot. Bonds2

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 79071653) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID79071653
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1CC1CN3CCCC3CO1)CCCC2O
InChIInChI=1S/C17H26N2O2/c1-12-8-15-16(5-2-6-17(15)20)19(12)10-14-9-18-7-3-4-13(18)11-21-14/h8,13-14,17,20H,2-7,9-11H2,1H3
InChIKeyDAHBGWULBLBLDH-UHFFFAOYSA-N
XLogP2.03
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol with MolForge

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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-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 79071653) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is Cc1cc2c(n1CC1CN3CCCC3CO1)CCCC2O.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is DAHBGWULBLBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-8-15-16(5-2-6-17(15)20)19(12)10-14-9-18-7-3-4-13(18)11-21-14/h8,13-14,17,20H,2-7,9-11H2,1H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 290.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 79071653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).