4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole

C19H21NO — CID 3089092

IUPAC4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole
SMILESCC12CCOC1(C)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c1-18-12-13-21-19(18,2)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h3-11H,12-14H2,1-2H3
InChIKeyURGSOXBPVQLXGQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.10
Rot. Bonds2

About 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole

4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole (PubChem CID 3089092) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole.

Molecular Properties

Compound Name4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole
PubChem CID3089092
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole
SMILESCC12CCOC1(C)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c1-18-12-13-21-19(18,2)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h3-11H,12-14H2,1-2H3
InChIKeyURGSOXBPVQLXGQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole?
The IUPAC name of 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole (CID 3089092) is 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole.
What is the SMILES notation for 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole?
The canonical SMILES for 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole is CC12CCOC1(C)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole?
The InChIKey is URGSOXBPVQLXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-18-12-13-21-19(18,2)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h3-11H,12-14H2,1-2H3.
What are the key properties of 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole?
4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole has a molecular weight of 279.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3a,8b-dimethyl-1,2-dihydrofuro[2,3-b]indole is sourced from PubChem (CID 3089092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).