(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]

C16H19NO — CID 71173461

IUPAC(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]
SMILESC1=CC2(Cc3ccccc3N2)O[C@@H]2CCCCC12
InChIInChI=1S/C16H19NO/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16/h1,3,6-7,9-10,12,15,17H,2,4-5,8,11H2/t12?,15-,16?/m1/s1
InChIKeyFHKOURPMMQQGGV-DSSZZKGTSA-N
MW241.33 g/mol
LogP3.50
Rot. Bonds

About (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]

(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene] (PubChem CID 71173461) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene].

Molecular Properties

Compound Name(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]
PubChem CID71173461
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]
SMILESC1=CC2(Cc3ccccc3N2)O[C@@H]2CCCCC12
InChIInChI=1S/C16H19NO/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16/h1,3,6-7,9-10,12,15,17H,2,4-5,8,11H2/t12?,15-,16?/m1/s1
InChIKeyFHKOURPMMQQGGV-DSSZZKGTSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]?
The IUPAC name of (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene] (CID 71173461) is (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene].
What is the SMILES notation for (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]?
The canonical SMILES for (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene] is C1=CC2(Cc3ccccc3N2)O[C@@H]2CCCCC12.
What is the InChIKey of (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]?
The InChIKey is FHKOURPMMQQGGV-DSSZZKGTSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16/h1,3,6-7,9-10,12,15,17H,2,4-5,8,11H2/t12?,15-,16?/m1/s1.
What are the key properties of (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene]?
(8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene] has a molecular weight of 241.33 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8'aR)-spiro[1,3-dihydroindole-2,2'-4a,5,6,7,8,8a-hexahydrochromene] is sourced from PubChem (CID 71173461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).