(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

C13H13NO — CID 134966114

IUPAC(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3C1
InChIInChI=1S/C13H13NO/c1-2-10-4-6-13-5-3-7-14(13)12(15)9-11(13)8-10/h2-6,9-10H,1,7-8H2/t10-,13-/m1/s1
InChIKeyHRFRNOAQCAJJTN-ZWNOBZJWSA-N
MW199.25 g/mol
LogP1.83
Rot. Bonds1

About (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (PubChem CID 134966114) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.

Molecular Properties

Compound Name(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
PubChem CID134966114
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3C1
InChIInChI=1S/C13H13NO/c1-2-10-4-6-13-5-3-7-14(13)12(15)9-11(13)8-10/h2-6,9-10H,1,7-8H2/t10-,13-/m1/s1
InChIKeyHRFRNOAQCAJJTN-ZWNOBZJWSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The IUPAC name of (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (CID 134966114) is (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.
What is the SMILES notation for (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The canonical SMILES for (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is C=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3C1.
What is the InChIKey of (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The InChIKey is HRFRNOAQCAJJTN-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-10-4-6-13-5-3-7-14(13)12(15)9-11(13)8-10/h2-6,9-10H,1,7-8H2/t10-,13-/m1/s1.
What are the key properties of (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one has a molecular weight of 199.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is sourced from PubChem (CID 134966114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).