[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate

C15H20N2O3 — CID 11482774

IUPAC[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C
InChIInChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
InChIKeyDSQSAHYPEXEBHJ-WUJWULDRSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds2

About [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate

[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate (PubChem CID 11482774) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate
PubChem CID11482774
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C
InChIInChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
InChIKeyDSQSAHYPEXEBHJ-WUJWULDRSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate?
The IUPAC name of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate (CID 11482774) is [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate.
What is the SMILES notation for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate?
The canonical SMILES for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate is CCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C.
What is the InChIKey of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate?
The InChIKey is DSQSAHYPEXEBHJ-WUJWULDRSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1.
What are the key properties of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate?
[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate has a molecular weight of 276.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate is sourced from PubChem (CID 11482774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).