3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

C10H13ClN2O — CID 171808266

IUPAC3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)C(C)NC2
InChIInChI=1S/C10H13ClN2O/c1-5-7-4-12-6(2)9(7)13(3)10(14)8(5)11/h6,12H,4H2,1-3H3
InChIKeySHRBZNXKPLXHHM-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.51
Rot. Bonds

About 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808266) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808266
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1Cl)C(C)NC2
InChIInChI=1S/C10H13ClN2O/c1-5-7-4-12-6(2)9(7)13(3)10(14)8(5)11/h6,12H,4H2,1-3H3
InChIKeySHRBZNXKPLXHHM-UHFFFAOYSA-N
XLogP1.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808266) is 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1Cl)C(C)NC2.
What is the InChIKey of 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is SHRBZNXKPLXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-5-7-4-12-6(2)9(7)13(3)10(14)8(5)11/h6,12H,4H2,1-3H3.
What are the key properties of 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 212.68 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).