(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

C15H17NO — CID 134966119

IUPAC(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@H]1CC2=CC(=O)N3CC=C[C@@]23C(C)=C1C
InChIInChI=1S/C15H17NO/c1-4-12-8-13-9-14(17)16-7-5-6-15(13,16)11(3)10(12)2/h4-6,9,12H,1,7-8H2,2-3H3/t12-,15+/m0/s1
InChIKeyQHHLGMWWXSRFHC-SWLSCSKDSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds1

About (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (PubChem CID 134966119) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.

Molecular Properties

Compound Name(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
PubChem CID134966119
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@H]1CC2=CC(=O)N3CC=C[C@@]23C(C)=C1C
InChIInChI=1S/C15H17NO/c1-4-12-8-13-9-14(17)16-7-5-6-15(13,16)11(3)10(12)2/h4-6,9,12H,1,7-8H2,2-3H3/t12-,15+/m0/s1
InChIKeyQHHLGMWWXSRFHC-SWLSCSKDSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
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-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The IUPAC name of (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (CID 134966119) is (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.
What is the SMILES notation for (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The canonical SMILES for (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is C=C[C@H]1CC2=CC(=O)N3CC=C[C@@]23C(C)=C1C.
What is the InChIKey of (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The InChIKey is QHHLGMWWXSRFHC-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-12-8-13-9-14(17)16-7-5-6-15(13,16)11(3)10(12)2/h4-6,9,12H,1,7-8H2,2-3H3/t12-,15+/m0/s1.
What are the key properties of (8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one has a molecular weight of 227.31 g/mol, XLogP of 2.61, 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-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is sourced from PubChem (CID 134966119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).