spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]

C19H17NO — CID 68599697

IUPACspiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]
SMILESC1=Nc2ccccc2C12COc1cc3c(cc12)CCCC3
InChIInChI=1S/C19H17NO/c1-2-6-14-10-18-16(9-13(14)5-1)19(12-21-18)11-20-17-8-4-3-7-15(17)19/h3-4,7-11H,1-2,5-6,12H2
InChIKeyXPWGKDUOCFVGDG-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.96
Rot. Bonds

About spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]

spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] (PubChem CID 68599697) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole].

Molecular Properties

Compound Namespiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]
PubChem CID68599697
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Namespiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]
SMILESC1=Nc2ccccc2C12COc1cc3c(cc12)CCCC3
InChIInChI=1S/C19H17NO/c1-2-6-14-10-18-16(9-13(14)5-1)19(12-21-18)11-20-17-8-4-3-7-15(17)19/h3-4,7-11H,1-2,5-6,12H2
InChIKeyXPWGKDUOCFVGDG-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] with MolForge

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Related Compounds

(8S)-spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]
CID 68599770
methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate
CID 132517345
N-(2-fluorophenyl)-2-(2-hydroxyspiro[2H-indole-3,3'-5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran]-1-yl)acetamide
CID 149316610
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
spiro[aziridine-2,3'-indole]
CID 173099784
3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 122380476
3-iodo-3-phenylindole
CID 175211436
3,3-difluoroindole;hydrochloride
CID 172824632
3-bromoindol-3-ol
CID 68520694
3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
CID 101462245
spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59263354

Frequently Asked Questions

What is the IUPAC name of spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]?
The IUPAC name of spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] (CID 68599697) is spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole].
What is the SMILES notation for spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]?
The canonical SMILES for spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] is C1=Nc2ccccc2C12COc1cc3c(cc12)CCCC3.
What is the InChIKey of spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]?
The InChIKey is XPWGKDUOCFVGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-6-14-10-18-16(9-13(14)5-1)19(12-21-18)11-20-17-8-4-3-7-15(17)19/h3-4,7-11H,1-2,5-6,12H2.
What are the key properties of spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]?
spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] has a molecular weight of 275.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole] is sourced from PubChem (CID 68599697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).