4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole

C18H19NO — CID 3769567

IUPAC4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCC12CCOC1N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO/c1-18-11-12-20-17(18)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)18/h2-10,17H,11-13H2,1H3
InChIKeyNCMVPGABXJTSGZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds2

About 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole

4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 3769567) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID3769567
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCC12CCOC1N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO/c1-18-11-12-20-17(18)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)18/h2-10,17H,11-13H2,1H3
InChIKeyNCMVPGABXJTSGZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole (CID 3769567) is 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole is CC12CCOC1N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is NCMVPGABXJTSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18-11-12-20-17(18)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)18/h2-10,17H,11-13H2,1H3.
What are the key properties of 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole?
4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 265.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 3769567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).