(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one

C22H21NO3 — CID 24805977

IUPAC(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(OC[C@@]3(C)COCC3=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C22H21NO3/c1-21-13-25-12-17(21)19(15-8-4-3-5-9-15)22(26-14-21)16-10-6-7-11-18(16)23(2)20(22)24/h3-11H,12-14H2,1-2H3/t21-,22+/m1/s1
InChIKeyZQPWUSOLCRCQGK-YADHBBJMSA-N
MW347.41 g/mol
LogP3.38
Rot. Bonds1

About (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one

(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one (PubChem CID 24805977) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one.

Molecular Properties

Compound Name(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one
PubChem CID24805977
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(OC[C@@]3(C)COCC3=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C22H21NO3/c1-21-13-25-12-17(21)19(15-8-4-3-5-9-15)22(26-14-21)16-10-6-7-11-18(16)23(2)20(22)24/h3-11H,12-14H2,1-2H3/t21-,22+/m1/s1
InChIKeyZQPWUSOLCRCQGK-YADHBBJMSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one?
The IUPAC name of (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one (CID 24805977) is (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one.
What is the SMILES notation for (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one?
The canonical SMILES for (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one is CN1C(=O)[C@]2(OC[C@@]3(C)COCC3=C2c2ccccc2)c2ccccc21.
What is the InChIKey of (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one?
The InChIKey is ZQPWUSOLCRCQGK-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21NO3/c1-21-13-25-12-17(21)19(15-8-4-3-5-9-15)22(26-14-21)16-10-6-7-11-18(16)23(2)20(22)24/h3-11H,12-14H2,1-2H3/t21-,22+/m1/s1.
What are the key properties of (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one?
(3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one has a molecular weight of 347.41 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R)-1',3a-dimethyl-7-phenylspiro[3,4-dihydro-1H-furo[3,4-c]pyran-6,3'-indole]-2'-one is sourced from PubChem (CID 24805977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).