(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

C22H25NO3 — CID 90802978

IUPAC(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCCCCCN1C[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-3-6-9-23-14-22(16-7-4-5-8-18(16)23)15-26-19-13-21-20(12-17(19)22)24-10-11-25-21/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/t22-/m1/s1
InChIKeyBRSRYLHIMDWPRF-JOCHJYFZSA-N
MW351.45 g/mol
LogP4.15
Rot. Bonds4

About (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (PubChem CID 90802978) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].

Molecular Properties

Compound Name(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
PubChem CID90802978
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCCCCCN1C[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-3-6-9-23-14-22(16-7-4-5-8-18(16)23)15-26-19-13-21-20(12-17(19)22)24-10-11-25-21/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/t22-/m1/s1
InChIKeyBRSRYLHIMDWPRF-JOCHJYFZSA-N
XLogP4.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] with MolForge

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Related Compounds

(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
1'-pentyl-5-pyridin-3-ylspiro[2H-1-benzofuran-3,3'-2H-indole]
CID 67312055
1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 152642855
1-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357105
1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357144
4-(3-chloroprop-1-enyl)-1-pentylspiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 68879522
1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 91416856
2-pentylspiro[1H-isoquinoline-4,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-3-one
CID 25226657
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 86609007
5-chloro-6-fluoro-1'-pentylspiro[2H-1-benzofuran-3,4'-3H-2,1-benzoxazine]
CID 89079693
5,6-difluoro-1'-pentylspiro[2H-1-benzofuran-3,4'-3H-quinoline]-2'-one
CID 25225935
1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67356789

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The IUPAC name of (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (CID 90802978) is (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].
What is the SMILES notation for (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The canonical SMILES for (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is CCCCCN1C[C@@]2(COc3cc4c(cc32)OCCO4)c2ccccc21.
What is the InChIKey of (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The InChIKey is BRSRYLHIMDWPRF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-3-6-9-23-14-22(16-7-4-5-8-18(16)23)15-26-19-13-21-20(12-17(19)22)24-10-11-25-21/h4-5,7-8,12-13H,2-3,6,9-11,14-15H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] has a molecular weight of 351.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is sourced from PubChem (CID 90802978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).