(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one

C16H17NO2 — CID 134948176

IUPAC(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESC=CCN1c2ccccc2[C@]2(CC=C)CC(=O)O[C@H]12
InChIInChI=1S/C16H17NO2/c1-3-9-16-11-14(18)19-15(16)17(10-4-2)13-8-6-5-7-12(13)16/h3-8,15H,1-2,9-11H2/t15-,16-/m0/s1
InChIKeySBWYEJFLJFRHNW-HOTGVXAUSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds4

About (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one

(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one (PubChem CID 134948176) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one.

Molecular Properties

Compound Name(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
PubChem CID134948176
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESC=CCN1c2ccccc2[C@]2(CC=C)CC(=O)O[C@H]12
InChIInChI=1S/C16H17NO2/c1-3-9-16-11-14(18)19-15(16)17(10-4-2)13-8-6-5-7-12(13)16/h3-8,15H,1-2,9-11H2/t15-,16-/m0/s1
InChIKeySBWYEJFLJFRHNW-HOTGVXAUSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,2S,3S,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048745
ethyl (1S,2R,3R,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050948
3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2,3-b]indole
CID 12200958
3H-Indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester
CID 244860
(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
CID 154714580
8-Benzyl-3a,8a-dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indole
CID 3089092
3a-Methyl-8-phenyl-2,3,3a,8a-tetrahydrofuro[2,3-b]indole
CID 3608760
8-benzyl-3a-methyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indole
CID 3769567
1,3-Dimethyl-3-(oxolan-2-ylmethyl)indol-2-one
CID 102199439
(3aR,8bS)-3,3,4-trimethyl-8b-prop-2-enyl-3aH-furo[3,4-b]indol-1-one
CID 135010587
ethyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 10857346
(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole
CID 12200959

Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The IUPAC name of (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one (CID 134948176) is (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one.
What is the SMILES notation for (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The canonical SMILES for (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one is C=CCN1c2ccccc2[C@]2(CC=C)CC(=O)O[C@H]12.
What is the InChIKey of (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The InChIKey is SBWYEJFLJFRHNW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-9-16-11-14(18)19-15(16)17(10-4-2)13-8-6-5-7-12(13)16/h3-8,15H,1-2,9-11H2/t15-,16-/m0/s1.
What are the key properties of (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one is sourced from PubChem (CID 134948176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).