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

C14H15NO — CID 134966126

IUPAC(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3[C@H]1C
InChIInChI=1S/C14H15NO/c1-3-11-5-7-14-6-4-8-15(14)13(16)9-12(14)10(11)2/h3-7,9-11H,1,8H2,2H3/t10-,11+,14+/m0/s1
InChIKeyRBDPTXRVXPZMQJ-MISXGVKJSA-N
MW213.28 g/mol
LogP2.07
Rot. Bonds1

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

(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (PubChem CID 134966126) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.

Molecular Properties

Compound Name(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
PubChem CID134966126
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3[C@H]1C
InChIInChI=1S/C14H15NO/c1-3-11-5-7-14-6-4-8-15(14)13(16)9-12(14)10(11)2/h3-7,9-11H,1,8H2,2H3/t10-,11+,14+/m0/s1
InChIKeyRBDPTXRVXPZMQJ-MISXGVKJSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.07
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 (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The IUPAC name of (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (CID 134966126) is (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.
What is the SMILES notation for (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The canonical SMILES for (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is C=C[C@@H]1C=C[C@@]23C=CCN2C(=O)C=C3[C@H]1C.
What is the InChIKey of (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The InChIKey is RBDPTXRVXPZMQJ-MISXGVKJSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-11-5-7-14-6-4-8-15(14)13(16)9-12(14)10(11)2/h3-7,9-11H,1,8H2,2H3/t10-,11+,14+/m0/s1.
What are the key properties of (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one has a molecular weight of 213.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is sourced from PubChem (CID 134966126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).