1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one

C10H11NO2 — CID 10012461

IUPAC1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one
SMILESCc1cc2c(c(C)cn2C)c(=O)o1
InChIInChI=1S/C10H11NO2/c1-6-5-11(3)8-4-7(2)13-10(12)9(6)8/h4-5H,1-3H3
InChIKeyAPVMUXPXCLZNAD-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.75
Rot. Bonds

About 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one

1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one (PubChem CID 10012461) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one
PubChem CID10012461
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one
SMILESCc1cc2c(c(C)cn2C)c(=O)o1
InChIInChI=1S/C10H11NO2/c1-6-5-11(3)8-4-7(2)13-10(12)9(6)8/h4-5H,1-3H3
InChIKeyAPVMUXPXCLZNAD-UHFFFAOYSA-N
XLogP1.75
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one?
The IUPAC name of 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one (CID 10012461) is 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one.
What is the SMILES notation for 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one?
The canonical SMILES for 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one is Cc1cc2c(c(C)cn2C)c(=O)o1.
What is the InChIKey of 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one?
The InChIKey is APVMUXPXCLZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-5-11(3)8-4-7(2)13-10(12)9(6)8/h4-5H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one?
1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one is sourced from PubChem (CID 10012461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).