(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole

C14H17NO — CID 134948175

IUPAC(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESC=CC[C@@]12CCO[C@@H]1N(C)c1ccccc12
InChIInChI=1S/C14H17NO/c1-3-8-14-9-10-16-13(14)15(2)12-7-5-4-6-11(12)14/h3-7,13H,1,8-10H2,2H3/t13-,14-/m0/s1
InChIKeyIQXOKBXXXVAENO-KBPBESRZSA-N
MW215.30 g/mol
LogP2.70
Rot. Bonds2

About (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole

(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 134948175) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID134948175
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESC=CC[C@@]12CCO[C@@H]1N(C)c1ccccc12
InChIInChI=1S/C14H17NO/c1-3-8-14-9-10-16-13(14)15(2)12-7-5-4-6-11(12)14/h3-7,13H,1,8-10H2,2H3/t13-,14-/m0/s1
InChIKeyIQXOKBXXXVAENO-KBPBESRZSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole (CID 134948175) is (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole is C=CC[C@@]12CCO[C@@H]1N(C)c1ccccc12.
What is the InChIKey of (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is IQXOKBXXXVAENO-KBPBESRZSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-8-14-9-10-16-13(14)15(2)12-7-5-4-6-11(12)14/h3-7,13H,1,8-10H2,2H3/t13-,14-/m0/s1.
What are the key properties of (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole?
(3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 215.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-4-methyl-8b-prop-2-enyl-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 134948175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).