(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one

C17H16N2O — CID 102485741

IUPAC(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
SMILESCN1C(=O)C[C@]2(c3ccccc3)c3ccccc3N[C@H]12
InChIInChI=1S/C17H16N2O/c1-19-15(20)11-17(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-16(17)19/h2-10,16,18H,11H2,1H3/t16-,17+/m1/s1
InChIKeyUAIZNMDJJDARPP-SJORKVTESA-N
MW264.33 g/mol
LogP2.59
Rot. Bonds1

About (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one

(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one (PubChem CID 102485741) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
PubChem CID102485741
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
SMILESCN1C(=O)C[C@]2(c3ccccc3)c3ccccc3N[C@H]12
InChIInChI=1S/C17H16N2O/c1-19-15(20)11-17(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-16(17)19/h2-10,16,18H,11H2,1H3/t16-,17+/m1/s1
InChIKeyUAIZNMDJJDARPP-SJORKVTESA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The IUPAC name of (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one (CID 102485741) is (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The canonical SMILES for (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one is CN1C(=O)C[C@]2(c3ccccc3)c3ccccc3N[C@H]12.
What is the InChIKey of (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The InChIKey is UAIZNMDJJDARPP-SJORKVTESA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-15(20)11-17(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-16(17)19/h2-10,16,18H,11H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
(3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one has a molecular weight of 264.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3-methyl-8b-phenyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 102485741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).