(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one

C16H13NO — CID 122375424

IUPAC(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one
SMILESC[C@@]12Cc3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C16H13NO/c1-16-10-11-6-2-5-9-14(11)17(16)15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3/t16-/m0/s1
InChIKeyRRHKFPCPUJAPBT-INIZCTEOSA-N
MW235.29 g/mol
LogP3.12
Rot. Bonds

About (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one

(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one (PubChem CID 122375424) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one.

Molecular Properties

Compound Name(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one
PubChem CID122375424
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one
SMILESC[C@@]12Cc3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C16H13NO/c1-16-10-11-6-2-5-9-14(11)17(16)15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3/t16-/m0/s1
InChIKeyRRHKFPCPUJAPBT-INIZCTEOSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one?
The IUPAC name of (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one (CID 122375424) is (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one.
What is the SMILES notation for (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one?
The canonical SMILES for (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one is C[C@@]12Cc3ccccc3N1C(=O)c1ccccc12.
What is the InChIKey of (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one?
The InChIKey is RRHKFPCPUJAPBT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13NO/c1-16-10-11-6-2-5-9-14(11)17(16)15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3/t16-/m0/s1.
What are the key properties of (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one?
(10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one has a molecular weight of 235.29 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one is sourced from PubChem (CID 122375424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).